SCHEMBL687690

SCHEMBL687690

Cc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)ccn(Cc3cc(F)ccc3F)c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSA P10619 19/20 0.44
CYP26A1 O43174 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
SCHEMBL687876 0.93 CTSA (0.42) CTSACYP26A1
SCHEMBL687691 0.92 PTGER3 (0.41) CTSACYP26A1
SCHEMBL687761 0.90 CTSA (0.46) CTSA
SCHEMBL686919 0.88 GAA (0.45) CTSA
SCHEMBL687896 0.86 CTSA (0.41) CTSACYP26A1
SCHEMBL688001 0.85 KDM4E (0.48) CTSA
SCHEMBL687651 0.85 CTSA (0.44) CTSACYP26A1
SCHEMBL687628 0.84 KMT2A (0.42) CTSACYP26A1
SCHEMBL687559 0.84 ALDH1A1 (0.49) CTSA
SCHEMBL687511 0.84 MEN1 (0.46) CTSACYP26A1

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