SCHEMBL7355659

SCHEMBL7355659

CC1(C)C2CCC1(CS(=O)(=O)N[C@@H](CCS(C)(=O)=O)C(=O)O)C(=O)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.55
ITGAV P06756 4/20 0.55
ALDH1A1 P00352 3/20 0.54
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 1/20 0.53
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 2/20 0.48
F2 P00734 2/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47

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
Sarcosine SCHEMBL7364548 0.93 ITGB3 (0.50) ITGB3ITGAVALDH1A1CYP2C19CYP1A2
SCHEMBL16026979 0.89 ITGB3 (0.59) ITGB3ITGAVALDH1A1CYP2C19CYP1A2
SCHEMBL16026981 0.89 ITGB3 (0.59) ITGB3ITGAVALDH1A1CYP2C19CYP1A2
SCHEMBL8798480 0.86 ITGB3 (0.54) ITGB3ITGAVALDH1A1CYP2C19CYP1A2
SCHEMBL6975926 0.86 ALDH1A1 (0.57) ITGB3ITGAVALDH1A1CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL7943485 0.85 ALDH1A1 (0.56) ITGB3ITGAVALDH1A1CYP2C19CYP1A2
SCHEMBL27522238 0.82 ITGB3 (0.66) ITGB3ITGAVALDH1A1CYP2C19CYP1A2
Arginine SCHEMBL7363181 0.81 ITGB3 (0.43) ITGB3ITGAVALDH1A1CYP2C19CYP1A2
SCHEMBL6021271 0.79 ALDH1A1 (0.49) ITGB3ITGAVALDH1A1CYP2C19CYP1A2
SCHEMBL7362007 0.77 ALDH1A1 (0.63) ALDH1A1CYP2C19CYP1A2KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5696231-A ANTICOAGULANTS; CARDIOVASCULAR DISORDERS CORVAS INTERNATIONAL, INC. (US) 1997-12-09 US disclosed
EP-0801654-A1 N-SUBSTITUTED GLYCINE DERIVATIVES AS INHIBITORS OF FACTOR Xa CORVAS INTERNATIONAL, INC. (US) 1997-10-22 EP disclosed
WO-1996019493-A1 N-SUBSTITUTED GLYCINE DERIVATIVES AS INHIBITORS OF FACTOR Xa CORVAS INTERNATIONAL, INC. (US) 1996-06-27 WO disclosed