SCHEMBL688164

SCHEMBL688164

O=C(O)C[C@H](NC(=O)Nc1c(O)ccn(Cc2ccccc2Cl)c1=O)c1cccc(OC(F)(F)C(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
PTGER3 P43115 15/20 0.40
THRB P10828 1/20 0.37
DUT P33316 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.35
CTSA P10619 1/20 0.35

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
SCHEMBL687121 0.94 MAPT (0.46) MAPTPTGER3THRBKDM4EALDH1A1
SCHEMBL688178 0.92 PTGER3 (0.42) MAPTPTGER3KDM4EALDH1A1MAPK1
SCHEMBL687117 0.88 PTGER3 (0.52) MAPTPTGER3KDM4EALDH1A1SMN1; SMN2
SCHEMBL687597 0.88 PTGER3 (0.46) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687768 0.88 CTSA (0.47) MAPTPTGER3THRBKDM4EALDH1A1
SCHEMBL27741944 0.88 CTSA (0.47) MAPTPTGER3THRBKDM4EALDH1A1
SCHEMBL687654 0.87 PTGER3 (0.43) MAPTPTGER3KDM4EALDH1A1MAPK1
SCHEMBL686873 0.86 PTGER3 (0.49) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687152 0.86 PTGER3 (0.48) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687418 0.86 PTGER3 (0.46) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2

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