SCHEMBL4700630

SCHEMBL4700630

O=C(O)C[C@H](NC(=O)Nc1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O)c1ccc2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 2/20 0.44
ITGB1 P05556 6/20 0.43
ITGA4 P13612 6/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ITGB3 P05106 2/20 0.42
ITGA2B P08514 1/20 0.42
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ITGAV P06756 1/20 0.41
PTGER3 P43115 1/20 0.41

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
SCHEMBL688325 0.93 ALDH1A1 (0.51) MAPTLMNATP53ITGB1ITGA4
SCHEMBL687571 0.92 ALDH1A1 (0.50) MAPTLMNATP53ITGB1ITGA4
SCHEMBL695420 0.91 MAPT (0.54) MAPTLMNATP53ITGB1ITGA4
SCHEMBL688224 0.90 PTGER3 (0.51) MAPTLMNATP53ALDH1A1MEN1
SCHEMBL688073 0.90 ALDH1A1 (0.44) MAPTLMNATP53ITGB1ITGA4
SCHEMBL686731 0.90 MAPT (0.55) MAPTLMNATP53ITGB1ITGA4
SCHEMBL687886 0.89 PTGER3 (0.56) MAPTALDH1A1MEN1KMT2AITGB3
SCHEMBL687428 0.89 PTGER3 (0.56) MAPTALDH1A1MEN1KMT2AITGB3
SCHEMBL688223 0.88 PTGER3 (0.55) MAPTLMNATP53ALDH1A1MEN1
SCHEMBL687518 0.88 LMNA (0.46) MAPTLMNATP53ITGB1ITGA4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1176956-B1 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-01-09 EP disclosed