SCHEMBL7380577

SCHEMBL7380577

N=C(N)Nc1cccc(C(=O)NOC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.54
HPGDS O60760 3/20 0.50
ACE P12821 3/20 0.48
ALDH1A1 P00352 1/20 0.48
GPR132 Q9UNW8 1/20 0.47
F10 P00742 6/20 0.47
PRSS1 P07477 4/20 0.46
F2 P00734 2/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL7375597 0.91 CA12 (0.48) CTSLHPGDSALDH1A1F10PRSS1
SCHEMBL7409607 0.89 ITGB3 (0.47) CTSLHPGDSALDH1A1CA12CA1
SCHEMBL7375475 0.88 CA12 (0.43) CTSLHPGDSALDH1A1F10PRSS1
SCHEMBL7466494 0.88 ITGB3 (0.54) CTSLHPGDSALDH1A1F10PRSS1
SCHEMBL7382271 0.87 ITGB3 (0.48) CTSLHPGDSALDH1A1F10PRSS1
SCHEMBL7410384 0.87 ITGB3 (0.54) CTSLACECA12CA1CA2
SCHEMBL7376066 0.86 ITGB3 (0.50) CTSLHPGDSALDH1A1F10PRSS1
SCHEMBL7410034 0.86 POLB (0.45) F10F2CA12CA1CA2
SCHEMBL7375575 0.85 ITGB3 (0.52) CTSLF10F2CA12CA1
SCHEMBL7380048 0.84 NPC1 (0.53) CTSLF10GAARAB9A

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
EP-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP claimed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed