SCHEMBL688216

SCHEMBL688216

CCn1c2ccccc2c2cc([C@H](CC(=O)O)NC(=O)Nc3c(O)c4c(n(Cc5ccccc5Cl)c3=O)CCC4)ccc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 7/20 0.38
KMT2A Q03164 7/20 0.38
TDP1 Q9NUW8 1/20 0.36
DPP4 P27487 1/20 0.36
RORC P51449 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
NPY5R Q15761 1/20 0.34

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
SCHEMBL688226 0.91 MEN1 (0.39) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL688345 0.87 MEN1 (0.41) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL688166 0.87 MEN1 (0.37) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL688052 0.86 MEN1 (0.44) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL688349 0.86 MEN1 (0.41) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL688444 0.86 MEN1 (0.43) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL688394 0.86 MAPT (0.39) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL688454 0.86 MEN1 (0.41) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL688610 0.85 MEN1 (0.44) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL687331 0.85 MEN1 (0.41) MAPTALDH1A1KDM4EHTTMEN1

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