SCHEMBL688233

SCHEMBL688233

COc1cc([C@H](CC(=O)O)NC(=O)Nc2c(O)c(C)cn(Cc3ccccc3Cl)c2=O)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 6/20 0.43
MAPT P10636 3/20 0.40
P2RX7 Q99572 2/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PDE7A Q13946 1/20 0.38
CTSA P10619 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP26A1 O43174 1/20 0.37
CNR2 P34972 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 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
SCHEMBL688343 0.94 PTGER3 (0.43) PTGER3MAPTP2RX7POLBTP53
SCHEMBL687624 0.93 PTGER3 (0.42) PTGER3MAPTP2RX7POLBTP53
SCHEMBL688170 0.91 PTGER3 (0.41) PTGER3MAPTTP53RXFP1SMN1; SMN2
SCHEMBL687082 0.90 POLB (0.39) POLBPDE7ACTSASMN1; SMN2CYP26A1
SCHEMBL688604 0.90 POLB (0.41) PTGER3POLBPDE7ACTSASMN1; SMN2
SCHEMBL686799 0.90 PTGER3 (0.51) PTGER3MAPTPOLBCTSASMN1; SMN2
SCHEMBL686842 0.90 PTGER3 (0.45) PTGER3MAPTTP53RXFP1CTSA
SCHEMBL686938 0.89 PTGER3 (0.47) PTGER3P2RX7RXFP1CTSACYP26A1
SCHEMBL687242 0.89 SMN1; SMN2 (0.44) PTGER3MAPTPOLBSMN1; SMN2CNR2
SCHEMBL688250 0.89 PTGER3 (0.45) PTGER3MAPTPOLBTP53RXFP1

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