SCHEMBL7377262

SCHEMBL7377262

CC(C)OC(=O)N(NC(=O)c1cccc(C(=O)NC(=N)N)c1)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.39
ITGB3 P05106 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA2B P08514 1/20 0.38
ITGB5 P18084 1/20 0.38
F10 P00742 6/20 0.36
PRSS1 P07477 6/20 0.36
F2 P00734 3/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GPR132 Q9UNW8 1/20 0.35
HPGDS O60760 1/20 0.35
MME P08473 1/20 0.35
MMEL1 Q495T6 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7466483 0.89 NPC1 (0.45) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7466500 0.81 ITGB3 (0.40) SLC7A5ITGB3ITGB1ITGAVITGA2B
SCHEMBL7466505 0.81 ITGB3 (0.40) SLC7A5ITGB3ITGB1ITGAVITGA2B
SCHEMBL7380737 0.80 MAPT (0.42) NPC1MAPTHTTRAB9ASMN1; SMN2
SCHEMBL7375593 0.80 ALDH1A1 (0.42) ITGB3ITGA2BF10PRSS1F2
SCHEMBL7382269 0.78 NR1H4 (0.41) ITGB3ITGAVITGA2BF10PRSS1
SCHEMBL7409600 0.77 MAPT (0.42) NPC1MAPTHTTRAB9ASMN1; SMN2
SCHEMBL7410381 0.77 ITGB3 (0.41) SLC7A5ITGB3ITGB1ITGAVITGA2B
SCHEMBL7410551 0.77 ITGB3 (0.41) SLC7A5ITGB3ITGB1ITGAVITGA2B
SCHEMBL7380572 0.74 ITGB3 (0.40) SLC7A5ITGB3ITGAVITGA2BF10

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