SCHEMBL688307

SCHEMBL688307

COc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c3c(n(Cc4ccccc4Cl)c2=O)CCC3)cc1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 5/20 0.37
PTGER3 P43115 2/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
RXFP1 Q9HBX9 4/20 0.37
TP53 P04637 2/20 0.37
CTSA P10619 8/20 0.36
POLB P06746 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL688525 0.90 ITGB3 (0.39) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL686857 0.88 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL688265 0.88 PTGER3 (0.42) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL688270 0.88 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL688345 0.88 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL688572 0.88 MEN1 (0.47) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL688680 0.87 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL687013 0.87 MEN1 (0.43) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL687667 0.87 ALDH1A1 (0.43) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL688349 0.87 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDSMN1; 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-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