SCHEMBL959397

SCHEMBL959397

C=CCCC(=O)CC(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.43
TRPA1 O75762 1/20 0.39
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE4D Q08499 1/20 0.39
CYP1A2 P05177 1/20 0.38
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5856733 0.86 ALDH1A1 (0.59) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4344625 0.86 ALDH1A1 (0.59) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21332 0.85 CYP1A2 (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL356135 0.84
Hydrochloric Acid SCHEMBL30480704 0.82 CYP1A2 (0.47) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11357979 0.82 CYP1A2 (0.47) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3109601 0.82 LMNA (0.57) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL22462727 0.81 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL22462728 0.81 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3099858 0.80 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102060754-A Method for preparing polysubstituted tetrahydropyridine UNIV NORTHWEST NORMAL 2011-05-18 CN claimed
JP-58188837-A None JP disclosed
CN-120004912-A Tricyclic prostaglandin D2Preparation method of metabolite methyl ester 南华大学 2025-05-16 CN disclosed
CN-107848953-B Fused ring gamma-amino acid derivative, preparation method and application thereof in medicine 四川海思科制药有限公司 2021-05-18 CN disclosed
CN-109206578-A A kind of energy-absorbing method based on hybrid cross-linked dynamic aggregation object 翁秋梅 2019-01-15 CN disclosed
US-8354097-B2 Cosmetic composition forming after application a supramolecular polymer L'OREAL (FR) 2013-01-15 US disclosed
US-8354097-B2 Cosmetic composition forming after application a supramolecular polymer L'OREAL (FR) 2013-01-15 US disclosed
US-8354097-B2 Cosmetic composition forming after application a supramolecular polymer L'OREAL (FR) 2013-01-15 US disclosed
CN-102060754-B Method for preparing polysubstituted tetrahydropyridine UNIV NORTHWEST NORMAL 2012-08-15 CN disclosed
CN-102060754-A Method for preparing polysubstituted tetrahydropyridine UNIV NORTHWEST NORMAL 2011-05-18 CN disclosed
WO-2002098377-A1 COSMETIC COMPOSITION FORMING AFTER APPLICATION A SUPRAMOLECULAR POLYMER L'OREAL (FR) 2002-12-12 WO disclosed
US-6320018-B1 POLYMER COMPRISING MONOMERIC UNITS LINKED VIA 4 H-BRIDGES AND BOUND WITHIN SAID POLYMER VIA A DIFFERENT BOND; HIGH BOND STRENGTH; RIGID; DIMENSIONALLY STABLE; ESPECIALLY CONTAINING PYRIMIDINE RINGS DSM N.V. (NL) 2001-11-20 US disclosed
EP-0929597-A1 SUPRAMOLECULAR POLYMER DSM N.V. (NL) 1999-07-21 EP disclosed
WO-1998014504-A1 SUPRAMOLECULAR POLYMER DSM N.V. (NL) 1998-04-09 WO disclosed
EP-0424317-A2 Pyrimidines CIBA-GEIGY AG (CH) 1991-04-24 EP disclosed
JP-S58188837-A 3R-HYDROXY-6-HEPTENOIC ACID METHYL ESTER SUNTORY LTD 1983-11-04 JP disclosed
US-4081596-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1978-03-28 US disclosed
US-4005215-A DIURETIC BAYER AKTIENGESELLSCHAFT (DT) 1977-01-25 US disclosed
US-3978077-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (GB) 1976-08-31 US disclosed
US-3957814-A DIURETICS, SALURETICS, HYPOTENSIVE AGENTS, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-05-18 US disclosed