SCHEMBL7863159

SCHEMBL7863159

NN=CNc1cccc(COc2cccc(C(CC(=O)O)c3ccccc3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CTSA P10619 1/20 0.50
FFAR1 O14842 5/20 0.48
SGMS2 Q8NHU3 1/20 0.46
NR4A2 P43354 3/20 0.44
NR1H4 Q96RI1 1/20 0.43
SMPD1 P17405 1/20 0.42
GPR132 Q9UNW8 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL7864160 0.85 FFAR1 (0.39) KMT2ASMN1; SMN2CTSAFFAR1
SCHEMBL7863151 0.84 KMT2A (0.57) KMT2ASMN1; SMN2CTSAFFAR1SGMS2
SCHEMBL7866927 0.82 FFAR1 (0.45) FFAR1MRGPRX4
SCHEMBL7866947 0.79 PTPN11 (0.41) KMT2ACTSAFFAR1
SCHEMBL7863123 0.77 ITGB3 (0.39) KMT2ACTSA
SCHEMBL7864766 0.77 ITGB3 (0.38) KMT2ACTSAFFAR1
SCHEMBL7864712 0.76 SIRT2 (0.45) NR1H4SIRT2
SCHEMBL7861983 0.76 CTSA (0.33) KMT2ASMN1; SMN2CTSAFFAR1
SCHEMBL7856436 0.75 ITGB3 (0.48) KMT2ASMN1; SMN2NR1H4
SCHEMBL7863191 0.75 KMT2A (0.47) KMT2ASMN1; SMN2CTSAFFAR1SGMS2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 EP claimed
EP-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 EP disclosed
EP-0889877-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1999-01-13 EP disclosed
WO-1997036862-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed