SCHEMBL8948036

SCHEMBL8948036

Cc1ccc(CNC(CS)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 1/20 0.44
NPC1 O15118 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
FFAR1 O14842 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL7614779 1.00 ACE (0.49) ACESMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2328314 1.00 ACE (0.49) ACESMN1; SMN2MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL27733929 0.98 ACE (0.48) ACESMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6051729 0.87 SMN1; SMN2 (0.45) ACESMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1031027 0.84 CPA3 (0.50)
SCHEMBL1109641 0.84 CPA3 (0.50)
SCHEMBL515921 0.84 CPA3 (0.50)
SCHEMBL5505220 0.83 MME (0.49) ACELMNAFFAR1
SCHEMBL1760830 0.83 ALDH1A1 (0.50) ACESMN1; SMN2KMT2ALMNANPC1
SCHEMBL29597658 0.83 ALDH1A1 (0.50) ACESMN1; SMN2KMT2ALMNANPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101597288-B 2-aminoacyl-Beta-3-formyol tryptophan benzyl ester and preparation method and application thereof UNIV BEIJING 2011-08-17 CN disclosed
US-5571683-A HEMOCYTE LYSATE WITH ENDOTOXIN NEUTRALIZING PEPTIDES MARUHA CORPORATION (JP) 1996-11-05 US disclosed
EP-0549102-B1 Beta-glucans detection reagents and methods of detecting beta-glucans MARUHA CORP (JP) 1996-07-03 EP disclosed
EP-0549102-A1 Beta-glucans detection reagents and methods of detecting beta-glucans MARUHA CORPORATION (JP) 1993-06-30 EP disclosed
EP-0231728-B1 SYNTHETIC PEPTIDE WITH HUMAN INTERLEUKIN 1 ACTIVITY SCLAVO S.p.A. (IT) 1991-05-22 EP disclosed
US-4774320-A IMMUNOLOGY SCLAVO S.P.A. (IT) 1988-09-27 US disclosed
EP-0231728-A2 Synthetic peptide with human interleukin 1 activity SCLAVO S.p.A. (IT) 1987-08-12 EP disclosed