SCHEMBL688470

SCHEMBL688470

Cc1cn(Cc2ccccc2Cl)c(=O)c(NC(=O)N[C@@H](CC(=O)O)c2cnc3ccccc3c2)c1O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.41
ITGA2B P08514 7/20 0.41
FPR2 P25090 1/20 0.39
F2R P25116 1/20 0.38
ITGAV P06756 7/20 0.37
PTGER3 P43115 3/20 0.37
ITGB5 P18084 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
KDR P35968 1/20 0.36
BRD4 O60885 1/20 0.36
PYGL P06737 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
SCHEMBL686846 0.88 PTGER3 (0.41) PTGER3ALDH1A1MAPTSMN1; SMN2CNR2
SCHEMBL688053 0.87 PTGER3 (0.43) PTGER3ALDH1A1MAPTSMN1; SMN2CNR2
SCHEMBL688170 0.85 PTGER3 (0.41) PTGER3ALDH1A1MAPTSMN1; SMN2CNR2
SCHEMBL688442 0.85 PTGER3 (0.42) PTGER3MAPTCNR2SLC22A12PYGL
SCHEMBL686896 0.85 PTGER3 (0.44) PTGER3CNR2SLC22A12
SCHEMBL29371834 0.85 PTGER3 (0.44) PTGER3CNR2SLC22A12
SCHEMBL688284 0.85 PTGER3 (0.43) FPR2PTGER3ALDH1A1MAPTSMN1; SMN2
SCHEMBL687923 0.84 PTGER3 (0.41) PTGER3CNR2SLC22A12
SCHEMBL688344 0.84 ITGB3 (0.39) ITGB3ITGA2BFPR2F2RITGAV
SCHEMBL686938 0.83 PTGER3 (0.47) PTGER3ALDH1A1CNR2SLC22A12

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