SCHEMBL686877

SCHEMBL686877

CCOc1cccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c3c(n(Cc4c(OCC)ccc(Cl)c4Cl)c2=O)CCC3)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
HPGD P15428 3/20 0.35
LMNA P02545 2/20 0.35
FFAR1 O14842 2/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ATM Q13315 1/20 0.32
ITGB3 P05106 3/20 0.31
ITGAV P06756 2/20 0.31
PPARG P37231 1/20 0.31
OPRK1 P41145 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
THPO P40225 1/20 0.31

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
SCHEMBL688281 0.95 KMT2A (0.36) KMT2AMEN1HPGDLMNAFFAR1
SCHEMBL688737 0.94 FFAR1 (0.36) KMT2AMEN1FFAR1
SCHEMBL686618 0.93 KMT2A (0.37) KMT2AMEN1HPGDLMNAFFAR1
SCHEMBL687969 0.90 CTSA (0.36) KMT2AMEN1HPGDLMNAHSD17B10
SCHEMBL687858 0.90 MEN1 (0.37) KMT2AMEN1HPGDLMNAFFAR1
SCHEMBL686692 0.89 SMN1; SMN2 (0.36) KMT2AMEN1HPGDLMNAFFAR1
SCHEMBL687167 0.89 KMT2A (0.37) KMT2AMEN1HPGDLMNAFFAR1
SCHEMBL688414 0.89 KMT2A (0.37) KMT2AMEN1HPGDLMNAFFAR1
SCHEMBL688603 0.88 KMT2A (0.36) KMT2AMEN1HPGDLMNAFFAR1
SCHEMBL686894 0.88 FFAR1 (0.38) KMT2AMEN1FFAR1SMN1; 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