SCHEMBL688387

SCHEMBL688387

O=C(O)C[C@H](NC(=O)Nc1c(O)c2c(n(Cc3ccccc3Cl)c1=O)CCC2)c1cccc(OC2CCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
HTT P42858 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SLC16A3 O15427 2/20 0.36
SLC16A1 P53985 2/20 0.36
MCTS1 Q9ULC4 2/20 0.36
MAPT P10636 2/20 0.36
FFAR1 O14842 3/20 0.35
ITGB1 P05556 2/20 0.35
ITGA4 P13612 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PTGER3 P43115 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL687930 0.99 KMT2A (0.40) KMT2AMEN1HTTRXFP1SLC16A3
SCHEMBL688426 0.98 KMT2A (0.40) KMT2AMEN1HTTRXFP1SLC16A3
SCHEMBL688324 0.90 MEN1 (0.39) KMT2AMEN1SLC16A3SLC16A1MCTS1
SCHEMBL687341 0.89 MEN1 (0.41) KMT2AMEN1HTTRXFP1MAPT
SCHEMBL687676 0.89 KMT2A (0.43) KMT2AMEN1HTTRXFP1SLC16A3
SCHEMBL688610 0.89 MEN1 (0.44) KMT2AMEN1HTTRXFP1MAPT
SCHEMBL688415 0.89 SMN1; SMN2 (0.37) KMT2AMEN1HTTRXFP1SLC16A3
SCHEMBL688605 0.89 MEN1 (0.41) KMT2AMEN1HTTRXFP1SLC16A3
SCHEMBL687911 0.88 KMT2A (0.36) KMT2AMEN1HTTRXFP1FFAR1
SCHEMBL688444 0.88 MEN1 (0.43) KMT2AMEN1HTTRXFP1MAPT

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