SCHEMBL7702634

SCHEMBL7702634

CCC(C(=O)O)n1cccc(NS(=O)(=O)Cc2ccccc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.47
PRSS1 P07477 6/20 0.45
ACLY P53396 1/20 0.44
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
F10 P00742 1/20 0.42
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
CASP8 Q14790 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
PTK2B Q14289 1/20 0.41
ELANE P08246 1/20 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
SCHEMBL6028532 0.83 F2 (0.47) F2PRSS1PRSS2PRSS3
SCHEMBL7341001 0.81 F2 (0.56) F2PRSS1PRSS2PRSS3
SCHEMBL6027957 0.80 F2 (0.48) F2PRSS1PRSS2PRSS3F10
SCHEMBL14423556 0.77 F2 (0.41) F2PRSS1PRSS2PRSS3F10
SCHEMBL14423545 0.77 F2 (0.46) F2PRSS1PRSS2PRSS3HPGD
SCHEMBL473144 0.76 CASP1 (0.48) CASP1CASP3CASP7CASP8ELANE
SCHEMBL473145 0.76 CASP1 (0.48) CASP1CASP3CASP7CASP8ELANE
SCHEMBL4902533 0.76 NPC1 (0.53) CASP1CASP3CASP7CASP8ELANE
SCHEMBL12273254 0.76 NPC1 (0.53) CASP1CASP3CASP7CASP8ELANE
SCHEMBL5117233 0.74 F2 (0.58) F2PRSS1ACLYPRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6342504-B1 PEPTIDES AS ANTITHROMBINS AND ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2002-01-29 US disclosed
US-5656645-A INHIBITORS OF THROMBIN CORVAS INTERNATIONAL, INC. (US) 1997-08-12 US disclosed