SCHEMBL687624

SCHEMBL687624

COc1cc([C@H](CC(=O)O)NC(=O)Nc2c(O)c(C)cn(Cc3ccccc3Cl)c2=O)cc(OC)c1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 5/20 0.42
MAPT P10636 3/20 0.40
P2RX7 Q99572 3/20 0.40
CNR2 P34972 1/20 0.40
PDE7A Q13946 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CTSA P10619 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE10A Q9Y233 1/20 0.37
POLB P06746 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
SCHEMBL688233 0.93 PTGER3 (0.43) PTGER3MAPTP2RX7CNR2PDE7A
SCHEMBL688343 0.91 PTGER3 (0.43) PTGER3MAPTP2RX7CNR2PDE7A
SCHEMBL688053 0.89 PTGER3 (0.43) PTGER3MAPTCNR2SLC22A12TP53
SCHEMBL686799 0.89 PTGER3 (0.51) PTGER3MAPTCNR2SLC22A12THRB
SCHEMBL686842 0.89 PTGER3 (0.45) PTGER3MAPTCNR2SLC22A12TP53
SCHEMBL687333 0.88 PTGER3 (0.47) PTGER3MAPTPDE7ATP53LMNA
SCHEMBL687527 0.88 ITGB1 (0.42) PTGER3MAPTP2RX7CNR2TP53
SCHEMBL688669 0.88 PTGER3 (0.42) PTGER3MAPTCNR2CTSA
SCHEMBL688215 0.87 PTGER3 (0.43) PTGER3MAPTP2RX7CTSA
SCHEMBL688442 0.87 PTGER3 (0.42) PTGER3MAPTCNR2SLC22A12TP53

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