SCHEMBL687747

SCHEMBL687747

CCOc1ncc([C@H](CC(=O)O)NC(=O)Nc2c(O)c(C)cn(Cc3ccccc3Cl)c2=O)c(OCC)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 5/20 0.36
CTSA P10619 9/20 0.36
CNR2 P34972 1/20 0.36
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL687725 0.85 MEN1 (0.36) PTGER3CTSATP53RXFP1ALDH1A1
SCHEMBL687501 0.84 CTSA (0.45) PTGER3CTSACNR2SLC22A12
SCHEMBL687640 0.83 PTGER3 (0.40) PTGER3CNR2TP53RXFP1MAPT
SCHEMBL687744 0.83 PTGER3 (0.43) PTGER3CTSACNR2TP53RXFP1
SCHEMBL688053 0.82 PTGER3 (0.43) PTGER3CTSACNR2TP53RXFP1
SCHEMBL687242 0.82 SMN1; SMN2 (0.44) PTGER3CNR2MAPTSMN1; SMN2SLC22A12
SCHEMBL688606 0.82 PTGER3 (0.42) PTGER3CTSACNR2SLC22A12
SCHEMBL688470 0.81 ITGB3 (0.41) PTGER3CNR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL686896 0.80 PTGER3 (0.44) PTGER3CTSACNR2SLC22A12
SCHEMBL29371834 0.80 PTGER3 (0.44) PTGER3CTSACNR2SLC22A12

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