SCHEMBL7377645

SCHEMBL7377645

NN=CNc1cccc(C(=O)NCc2ccccc2CCC(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 14/20 0.49
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PPARG P37231 1/20 0.47
HDAC6 Q9UBN7 2/20 0.44
SENP1 Q9P0U3 1/20 0.42

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
SCHEMBL7452332 0.85 PPARG (0.63) LMNAPPARGHDAC6SENP1
SCHEMBL7856525 0.84 PPARG (0.59) LMNAPPARGHDAC6SENP1
SCHEMBL7372217 0.83 PPARG (0.48) BCHEMAPTLMNASMN1; SMN2PPARG
SCHEMBL7377637 0.83 MAPT (0.55) BCHEMAPTLMNASMN1; SMN2PPARG
SCHEMBL8500043 0.83 MAPT (0.57) BCHEMAPTLMNASMN1; SMN2PPARG
SCHEMBL7380126 0.82 ITGB3 (0.53) SMN1; SMN2
SCHEMBL7373860 0.81 PTGER1 (0.44) MAPTLMNASMN1; SMN2
SCHEMBL8496894 0.81 MAPT (0.55) BCHEMAPTLMNASMN1; SMN2PPARG
SCHEMBL7379916 0.81 PPARG (0.51) LMNASMN1; SMN2PPARGHDAC6
SCHEMBL7380550 0.81 ITGB3 (0.43) BCHEMAPTLMNASMN1; SMN2

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