SCHEMBL7457429

SCHEMBL7457429

NN=Cc1cccc(C(=O)Nc2cccc(CCC(=O)O)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.60
ITGA2B P08514 4/20 0.60
ITGAV P06756 3/20 0.51
ITGB1 P05556 1/20 0.51
ITGB5 P18084 1/20 0.51
NR1H4 Q96RI1 5/20 0.48
PPARG P37231 3/20 0.48
PPARD Q03181 3/20 0.48
PPARA Q07869 2/20 0.48
HSPH1 Q92598 1/20 0.46
SIRT1 Q96EB6 1/20 0.44
HPSE Q9Y251 1/20 0.44
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FFAR1 O14842 1/20 0.43
SENP1 Q9P0U3 1/20 0.43
PKM P14618 1/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43

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
SCHEMBL7371865 0.90 ITGB3 (0.64) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7856524 0.88 HPSE (0.57) ITGB3ITGA2BNR1H4PPARGPPARD
SCHEMBL7372805 0.86 MAPT (0.46) ITGB3ITGA2BNR1H4KMT2ASMN1; SMN2
SCHEMBL7861974 0.85 ITGB3 (0.64) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7458370 0.84 PPARG (0.60) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7373451 0.81 PPARG (0.65) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7380591 0.80 KCNK3 (0.46) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7856484 0.79 KMT2A (0.51) NR1H4HPSEKMT2ASMN1; SMN2PKM
SCHEMBL7861970 0.79 ITGB3 (0.76) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7457414 0.79 ITGB3 (0.84) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891325-B1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-02-06 EP claimed