SCHEMBL687932

SCHEMBL687932

Cc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)ccn(Cc3cccc(Cl)c3)c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.44
POLB P06746 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CTSA P10619 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
PTGER4 P35408 3/20 0.40
PTGDR Q13258 3/20 0.40
PTGER3 P43115 1/20 0.40
P2RY14 Q15391 1/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 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
SCHEMBL688357 0.92 POLB (0.41) POLBLMNAMAPTMEN1KMT2A
SCHEMBL688110 0.92 MEN1 (0.49) EGLN1POLBLMNAMAPTMEN1
SCHEMBL687408 0.90 KMT2A (0.43) EGLN1POLBLMNAMAPTHTT
SCHEMBL687511 0.90 MEN1 (0.46) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL688413 0.89 POLB (0.40) POLBLMNAMAPTHTTMEN1
SCHEMBL688248 0.88 POLB (0.39) POLBLMNAMAPTMEN1KMT2A
SCHEMBL686843 0.88 MAPT (0.47) POLBLMNAMAPTSMN1; SMN2MEN1
SCHEMBL688277 0.88 MEN1 (0.39) POLBLMNASMN1; SMN2MEN1KMT2A
SCHEMBL687488 0.87 MAPT (0.51) POLBLMNAMAPTSMN1; SMN2MEN1
SCHEMBL687925 0.87 CYP26A1 (0.42) POLBMEN1KMT2ACTSAALDH1A1

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