SCHEMBL687640

SCHEMBL687640

CCOc1cc(OCC)cc([C@H](CC(=O)O)NC(=O)Nc2c(O)c(C)cn(Cc3ccccc3Cl)c2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 11/20 0.40
RXFP1 Q9HBX9 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR2 P34972 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
TP53 P04637 2/20 0.35
GAA P10253 1/20 0.35
ITGB1 P05556 2/20 0.35
ITGA4 P13612 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 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
SCHEMBL687744 0.95 PTGER3 (0.43) PTGER3RXFP1NPSR1CNR2SLC22A12
SCHEMBL687242 0.89 SMN1; SMN2 (0.44) PTGER3NPSR1CNR2SLC22A12ITGB1
SCHEMBL688053 0.89 PTGER3 (0.43) PTGER3RXFP1CNR2SLC22A12TP53
SCHEMBL686799 0.88 PTGER3 (0.51) PTGER3CNR2SLC22A12MAPT
SCHEMBL687712 0.88 PTGER3 (0.43) PTGER3CNR2SLC22A12SLC16A3SLC16A1
SCHEMBL687324 0.87 PTGER3 (0.41) PTGER3RXFP1NPSR1SLC16A3SLC16A1
SCHEMBL687980 0.87 ITGB1 (0.41) PTGER3CNR2SLC22A12ITGB1ITGA4
SCHEMBL687624 0.87 PTGER3 (0.42) PTGER3RXFP1CNR2SLC22A12TP53
SCHEMBL686842 0.86 PTGER3 (0.45) PTGER3RXFP1NPSR1CNR2SLC22A12
SCHEMBL686846 0.86 PTGER3 (0.41) PTGER3CNR2SLC22A12ITGB1ITGA4

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