SCHEMBL7371563

SCHEMBL7371563

NC(CC1C=CC(O)(S(=O)(=O)O)C=C1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PMP22 Q01453 1/20 0.36
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
PTGS1 P23219 2/20 0.31
SLC7A11 Q9UPY5 1/20 0.31
KYNU Q16719 2/20 0.30
ALPI P09923 1/20 0.30
PKM P14618 1/20 0.30
XIAP P98170 1/20 0.30
SLC7A5 Q01650 1/20 0.30

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
SCHEMBL7375800 0.82 IDO1 (0.36) IDO1TDO2PTGS1SLC7A11ALPI
SCHEMBL7200966 0.81 IDO1 (0.36) IDO1TDO2PTGS1SLC7A11ALPI
SCHEMBL15156025 0.79 IDO1 (0.35) IDO1TDO2PTGS1SLC7A11ALPI
SCHEMBL1614569 0.79 IDO1 (0.35) IDO1TDO2PTGS1SLC7A11ALPI
SCHEMBL7241021 0.79 IDO1 (0.35) IDO1TDO2PTGS1SLC7A11ALPI
SCHEMBL4458615 0.78 IDO1 (0.37) IDO1TDO2PTGS1SLC7A11ALPI
SCHEMBL5816605 0.75 GRIN2D (0.37)
SCHEMBL686409 0.75 IDO1 (0.33) PMP22IDO1TDO2PTGS1SLC7A11
SCHEMBL687402 0.75 IDO1 (0.33) PMP22IDO1TDO2PTGS1SLC7A11
SCHEMBL7591393 0.75 IDO1 (0.33) PMP22IDO1TDO2PTGS1SLC7A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670479-A α-ketoamide derivatives as inhibitors of thrombosis CORVAS INTERNATIONAL, INC. (US) 1997-09-23 US disclosed
US-5656600-A MODIFIED POLYPEPTIDES CORVAS INTERNATIONAL, INC. (US) 1997-08-12 US disclosed
EP-0693083-A4 ALPHA-KETOAMIDE DERIVATIVES AS INHIBITORS OF THROMBOSIS CORVAS INT INC (US) 1996-07-17 EP disclosed
EP-0693083-A1 ALPHA-KETOAMIDE DERIVATIVES AS INHIBITORS OF THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 1996-01-24 EP disclosed
WO-1994021673-A1 ALPHA-KETOAMIDE DERIVATIVES AS INHIBITORS OF THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 1994-09-29 WO disclosed