SCHEMBL687096

SCHEMBL687096

Cc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c3ccccc3n(Cc3ccccc3Cl)c2=O)cc1C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
TP53 P04637 5/20 0.41
MAPT P10636 3/20 0.41
RXFP1 Q9HBX9 2/20 0.41
EGLN3 Q9H6Z9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL687874 0.92 MAPT (0.44) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL686624 0.91 MEN1 (0.42) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL686509 0.90 MAPT (0.41) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL687862 0.87 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL27587431 0.86 MEN1 (0.41) MEN1KMT2AALDH1A1TP53RXFP1
SCHEMBL688464 0.86 MEN1 (0.40) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL688345 0.85 MEN1 (0.41) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL688170 0.84 PTGER3 (0.41) ALDH1A1TP53MAPTRXFP1KDM4E
SCHEMBL687213 0.82 MAPT (0.43) TP53MAPTRXFP1SMN1; SMN2
SCHEMBL688394 0.81 MAPT (0.39) MEN1KMT2AALDH1A1MAPTL3MBTL1

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-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP disclosed