SCHEMBL7380550

SCHEMBL7380550

NN=CNc1cccc(C(=O)Nc2c(O)cccc2CCC(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.43
ITGA2B P08514 7/20 0.43
ITGAV P06756 5/20 0.43
ITGB1 P05556 2/20 0.41
ITGB5 P18084 2/20 0.41
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
PTPN11 Q06124 1/20 0.37
BCHE P06276 1/20 0.36
HPGDS O60760 1/20 0.36

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
SCHEMBL7373860 0.88 PTGER1 (0.44) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7380538 0.85 ITGB3 (0.50) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7380126 0.83 ITGB3 (0.53) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7380190 0.82 KCNK3 (0.46) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7377645 0.81 BCHE (0.49) SMN1; SMN2LMNAMAPTBCHE
SCHEMBL7378811 0.81 PTGER4 (0.48) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7373424 0.80 ITGB3 (0.64) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7861974 0.80 ITGB3 (0.64) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL27710510 0.80 KMT2A (0.44) KCNK3KCNK9MEN1KMT2ALMNA
SCHEMBL7378628 0.80 SMN1; SMN2 (0.55) ITGB3ITGA2BITGAVITGB1ITGB5

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