SCHEMBL688264

SCHEMBL688264

COc1ccc(Cn2ccc(O)c(NC(=O)N[C@@H](CC(=O)O)c3ccc(C)cc3)c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.47
LMNA P02545 1/20 0.45
CTSA P10619 1/20 0.43
POLB P06746 3/20 0.43
MAPT P10636 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
PTGER3 P43115 2/20 0.42
RAB9A P51151 1/20 0.42
UTS2R Q9UKP6 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 2/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL687511 0.94 MEN1 (0.46) LCKCTSAPOLBMAPTMEN1
SCHEMBL687408 0.90 KMT2A (0.43) LMNACTSAPOLBMAPTMEN1
SCHEMBL688110 0.90 MEN1 (0.49) LMNACTSAPOLBMAPTMEN1
SCHEMBL686843 0.90 MAPT (0.47) LMNACTSAPOLBMAPTMEN1
SCHEMBL688377 0.90 LMNA (0.42) LCKLMNAPOLBMEN1KMT2A
SCHEMBL686919 0.89 GAA (0.45) LMNACTSAPOLBMAPTMEN1
SCHEMBL688035 0.88 CTSA (0.41) LCKLMNACTSAPOLBMAPT
SCHEMBL688084 0.88 CYP26A1 (0.43) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL687925 0.87 CYP26A1 (0.42) CTSAPOLBMEN1KMT2AALDH1A1
SCHEMBL688413 0.87 POLB (0.40) LMNACTSAPOLBMAPTMEN1

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