SCHEMBL687685

SCHEMBL687685

Cc1ccc(C[C@H](CC(=O)O)NC(=O)Nc2c(O)ccn(Cc3ccccc3Cl)c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 11/20 0.48
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.39
MME P08473 1/20 0.39
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
MMEL1 Q495T6 1/20 0.38

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
SCHEMBL688064 1.00 PTGER3 (0.48) PTGER3POLBMEN1KMT2AKDM4E
SCHEMBL687905 0.90 PTGER3 (0.46) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687900 0.90 PTGER3 (0.48) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688155 0.86 PTGER3 (0.49) PTGER3POLBMEN1KMT2AKDM4E
SCHEMBL688040 0.86 PTGER3 (0.49) PTGER3POLBMEN1KMT2AKDM4E
SCHEMBL688237 0.86 KDM4E (0.46) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688152 0.84 LCK (0.42) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688196 0.84 PIN1 (0.47) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687906 0.84 PTGER3 (0.47) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688494 0.84 PTGER3 (0.41) PTGER3KMT2AKDM4EALDH1A1MAPK1

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