SCHEMBL199861

SCHEMBL199861

C[C@@H](Nc1cccs1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.53
HSD17B10 Q99714 7/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
ALDH1A1 P00352 7/20 0.49
DAO P14920 1/20 0.44
MAPT P10636 7/20 0.43
RAB9A P51151 6/20 0.42
ALOX15 P16050 5/20 0.42
TP53 P04637 5/20 0.42
HTT P42858 4/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
GFER P55789 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 3/20 0.41
CYP2C9 P11712 2/20 0.41
KDM4E B2RXH2 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL41618 1.00 GAA (0.53) GAAHSD17B10MEN1KMT2AALDH1A1
Benzene SCHEMBL27553763 1.00 GAA (0.53) GAAHSD17B10MEN1KMT2AALDH1A1
SCHEMBL41619 1.00 GAA (0.53) GAAHSD17B10MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL11389456 0.98 GAA (0.51) GAAHSD17B10MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL9474549 0.98 GAA (0.51) GAAHSD17B10MEN1KMT2AALDH1A1
Glycine SCHEMBL28074279 0.91 ALDH1A1 (0.46) GAAHSD17B10MEN1KMT2AALDH1A1
Dl-Phenylalanine SCHEMBL28266480 0.84 SLC7A5 (0.58) HPGDPTGS1PKM
SCHEMBL10625398 0.84 GAA (0.51) GAAHSD17B10MEN1KMT2AALDH1A1
SCHEMBL8817575 0.84 GAA (0.51) GAAHSD17B10MEN1KMT2AALDH1A1
SCHEMBL10625410 0.84 GAA (0.51) GAAHSD17B10MEN1KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 319 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109022514-B Method for preparing 3- (2-thienyl) -D-alanine 南京工业大学 2021-05-11 CN claimed
CN-109022514-A Method for preparing 3- (2-thienyl) -D-alanine 南京工业大学 2018-12-18 CN claimed
US-9434764-B2 Skin care compositions and methods comprising selective agonists of melanocortin 1 receptor UNIVERSITY OF CINCINNATI (US) 2016-09-06 US claimed
US-20150297667-A1 PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS OF USE COMPRISING SELECTIVE AGONISTS OF MELANOCORTIN 1 RECEPTOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-22 US claimed
US-20150299251-A1 Skin Care Compositions and Methods Comprising Selective Agonists of Melanocortin 1 Receptor UNIVERSITY OF CINCINNATI (US) 2015-10-22 US claimed
EP-2925340-A2 PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS OF USE COMPRISING SELECTIVE AGONISTS OF MELANOCORTIN 1 RECEPTOR University Of Cincinnati (US) 2015-10-07 EP claimed
EP-2922565-A2 SKIN CARE COMPOSITIONS AND METHODS COMPRISING SELECTIVE AGONISTS OF MELANOCORTIN 1 RECEPTOR University Of Cincinnati (US) 2015-09-30 EP claimed
WO-2014081845-A2 SKIN CARE COMPOSITIONS AND METHODS COMPRISING SELECTIVE AGONISTS OF MELANOCORTIN 1 RECEPTOR UNIVERSITY OF CINCINNATI (US) 2014-05-30 WO claimed
WO-2014081846-A2 PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS OF USE COMPRISING SELECTIVE AGONISTS OF MELANOCORTIN 1 RECEPTOR UNIVERSITY OF CINCINNATI (US) 2014-05-30 WO claimed
US-7052673-B2 Pharmaceuticals for the imaging of angiogenic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-05-30 US claimed
EP-0656011-A1 ANTI-INFLAMMATORY PEPTIDE ANALOGS AND TREATMENT TO INHIBIT VASCULAR LEAKAGE IN INJURED TISSUES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-06-07 EP claimed
EP-0647449-A1 Sustained-release preparation of anti-endothelin substance Takeda Chemical Industries, Ltd. (JP) 1995-04-12 EP claimed
WO-1995000548-A1 BIOLOGICALLY ACTIVE VASOPRESSIN ANALOGUES FERRING B.V. (NL) 1995-01-05 WO claimed
WO-1994003489-A1 ANTI-INFLAMMATORY PEPTIDE ANALOGS AND TREATMENT TO INHIBIT VASCULAR LEAKAGE IN INJURED TISSUES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-02-17 WO claimed
EP-0334685-B1 Bradykinin analogues, their synthesis and their use in therapy UNIV TULANE (US) 1994-01-19 EP claimed
EP-0552417-A1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP claimed
EP-0528312-A2 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-24 EP claimed
WO-1989009230-A1 THERAPEUTIC PEPTIDES ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 1989-10-05 WO claimed
WO-1989009231-A1 THERAPEUTIC PEPTIDES ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 1989-10-05 WO claimed
EP-0334685-A2 Bradykinin analogues, their synthesis and their use in therapy THE ADMINISTRATORS OF THE TULANE UNIVERSITY EDUCATIONAL FUND (US) 1989-09-27 EP claimed