SCHEMBL688464

SCHEMBL688464

CCOc1cccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c3ccccc3n(Cc3ccccc3Cl)c2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.38
PPARG P37231 1/20 0.38
PTGER3 P43115 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
MCTS1 Q9ULC4 1/20 0.37

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
SCHEMBL687862 0.90 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL688409 0.90 PPARG (0.42) ALDH1A1KDM4EHTTRXFP1NPSR1
SCHEMBL687096 0.86 MEN1 (0.43) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL688605 0.85 MEN1 (0.41) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL686624 0.85 MEN1 (0.42) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL687874 0.84 MAPT (0.44) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL687744 0.84 PTGER3 (0.43) RXFP1NPSR1TP53PTGER3MAPT
SCHEMBL27587431 0.83 MEN1 (0.41) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL687999 0.83 SLC16A3 (0.42) MEN1KMT2ANPSR1TP53SLC16A3
SCHEMBL687881 0.83 PTGER3 (0.40) RXFP1NPSR1TP53PTGER3MAPT

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