SCHEMBL688603

SCHEMBL688603

CCOc1cccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c3c(n(Cc4c(Cl)cccc4OCCOC)c2=O)CCC3)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
HPGD P15428 4/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FFAR1 O14842 2/20 0.32
PPARG P37231 1/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
POLB P06746 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGAV P06756 1/20 0.30
CTSA P10619 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL686618 0.95 KMT2A (0.37) KMT2AMEN1HPGDHSD17B10LMNA
SCHEMBL686692 0.92 SMN1; SMN2 (0.36) KMT2AMEN1HPGDHSD17B10LMNA
SCHEMBL687167 0.91 KMT2A (0.37) KMT2AMEN1HPGDHSD17B10LMNA
SCHEMBL688414 0.90 KMT2A (0.37) KMT2AMEN1HPGDHSD17B10LMNA
SCHEMBL687858 0.90 MEN1 (0.37) KMT2AMEN1HPGDHSD17B10LMNA
SCHEMBL687908 0.90 CTSA (0.38) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL686719 0.89 MEN1 (0.38) KMT2AMEN1HPGDHSD17B10LMNA
SCHEMBL686894 0.89 FFAR1 (0.38) KMT2AMEN1SMN1; SMN2FFAR1CTSA
SCHEMBL686619 0.89 KMT2A (0.35) KMT2AMEN1HPGDHSD17B10LMNA
SCHEMBL686877 0.88 KMT2A (0.36) KMT2AMEN1HPGDHSD17B10LMNA

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