SCHEMBL687874

SCHEMBL687874

COc1cc([C@H](CC(=O)O)NC(=O)Nc2c(O)c3ccccc3n(Cc3ccccc3Cl)c2=O)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
RXFP1 Q9HBX9 5/20 0.44
TP53 P04637 3/20 0.44
PTGER3 P43115 1/20 0.41
PTPN11 Q06124 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 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
SCHEMBL687096 0.92 MEN1 (0.43) MAPTRXFP1TP53ALDH1A1MEN1
SCHEMBL687213 0.91 MAPT (0.43) MAPTRXFP1TP53PTGER3PTPN11
SCHEMBL687862 0.88 SMN1; SMN2 (0.43) MAPTRXFP1TP53ALDH1A1MEN1
SCHEMBL686624 0.88 MEN1 (0.42) MAPTRXFP1TP53ALDH1A1MEN1
SCHEMBL688233 0.85 PTGER3 (0.43) MAPTRXFP1TP53PTGER3POLB
SCHEMBL688464 0.84 MEN1 (0.40) MAPTRXFP1TP53PTGER3ALDH1A1
SCHEMBL27587431 0.83 MEN1 (0.41) RXFP1TP53ALDH1A1MEN1KMT2A
SCHEMBL688250 0.82 PTGER3 (0.45) MAPTRXFP1TP53PTGER3ALDH1A1
SCHEMBL686509 0.82 MAPT (0.41) MAPTRXFP1TP53PTGER3ALDH1A1
SCHEMBL687805 0.81 POLB (0.39) POLB

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