SCHEMBL687613

SCHEMBL687613

Cc1ccc([C@H](CC(=O)O)NC(=O)Nc2cccn(Cc3cccc(Cl)c3)c2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 6/20 0.55
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 6/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
CYP2C9 P11712 2/20 0.55
HPGD P15428 2/20 0.55
CYP2C19 P33261 2/20 0.55
MAPT P10636 4/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 1/20 0.48
ITGB1 P05556 4/20 0.47
ITGA4 P13612 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46

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
SCHEMBL687856 0.91 ALDH1A1 (0.58) PTGER3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL688231 0.90 KDM4E (0.53) PTGER3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL688548 0.88 MAPT (0.64) PTGER3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL688469 0.87 KDM4E (0.58) PTGER3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL688515 0.87 PTGER3 (0.55) PTGER3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL687926 0.87 PTGER3 (0.55) PTGER3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL687859 0.86 ALDH1A1 (0.59) PTGER3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL687322 0.86 PTGER3 (0.50) PTGER3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL687932 0.86 EGLN1 (0.44) PTGER3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL686550 0.85 PTGER3 (0.49) PTGER3ALDH1A1KDM4EMEN1KMT2A

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