SCHEMBL687280

SCHEMBL687280

Cc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)ccn(Cc3ccccc3C)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
CTSA P10619 4/20 0.39
ITGB1 P05556 6/20 0.38
ITGA4 P13612 6/20 0.38
PTGER3 P43115 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP26A1 O43174 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
P2RY14 Q15391 1/20 0.36

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
SCHEMBL688155 0.91 PTGER3 (0.49) POLBCTSAPTGER3MEN1KMT2A
SCHEMBL688040 0.91 PTGER3 (0.49) POLBCTSAPTGER3MEN1KMT2A
SCHEMBL688191 0.91 ALDH1A1 (0.40) POLBCTSAITGB1ITGA4PTGER3
SCHEMBL687761 0.91 CTSA (0.46) CTSAPTGER3MEN1KMT2ALMNA
SCHEMBL687896 0.91 CTSA (0.41) POLBCTSAITGB1ITGA4MEN1
SCHEMBL688529 0.90 CTSA (0.39) POLBCTSAITGB1ITGA4MEN1
SCHEMBL688110 0.90 MEN1 (0.49) POLBCTSAITGB1ITGA4MEN1
SCHEMBL688296 0.89 CTSA (0.37) POLBCTSAITGB1ITGA4PTGER3
SCHEMBL687559 0.89 ALDH1A1 (0.49) POLBCTSAPTGER3LMNA
SCHEMBL686888 0.89 CTSA (0.37) POLBCTSAPTGER3MEN1KMT2A

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