SCHEMBL688152

SCHEMBL688152

O=C(O)C[C@@H](Cc1cccc2ccccc12)NC(=O)Nc1c(O)ccn(Cc2ccccc2Cl)c1=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
PTGER3 P43115 12/20 0.41
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BCL2L1 Q07817 2/20 0.37

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
SCHEMBL687905 0.92 PTGER3 (0.46) SMN1; SMN2KDM4EALDH1A1MAPK1PTGER3
SCHEMBL687900 0.88 PTGER3 (0.48) SMN1; SMN2KDM4EALDH1A1MAPK1PTGER3
SCHEMBL688137 0.86 KDM4E (0.42) SMN1; SMN2KDM4EALDH1A1MAPK1PTGER3
SCHEMBL687685 0.84 PTGER3 (0.48) SMN1; SMN2KDM4EALDH1A1MAPK1PTGER3
SCHEMBL688064 0.84 PTGER3 (0.48) SMN1; SMN2KDM4EALDH1A1MAPK1PTGER3
SCHEMBL688237 0.84 KDM4E (0.46) SMN1; SMN2KDM4EALDH1A1MAPK1PTGER3
SCHEMBL688494 0.84 PTGER3 (0.41) SMN1; SMN2KDM4EALDH1A1MAPK1PTGER3
SCHEMBL688196 0.83 PIN1 (0.47) SMN1; SMN2KDM4EALDH1A1MAPK1PTGER3
SCHEMBL688402 0.82 PTGER3 (0.47) SMN1; SMN2KDM4EALDH1A1MAPK1PTGER3
SCHEMBL687418 0.81 PTGER3 (0.46) SMN1; SMN2KDM4EALDH1A1MAPK1PTGER3

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