SCHEMBL686857

SCHEMBL686857

CCOc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c3c(n(Cc4ccccc4Cl)c2=O)CCC3)cc1OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 4/20 0.37
POLB P06746 2/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGER3 P43115 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 2/20 0.34
ITGB1 P05556 2/20 0.34
ITGA4 P13612 2/20 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
SCHEMBL687890 0.96 KMT2A (0.39) SMN1; SMN2KMT2AMEN1LMNAHPGD
SCHEMBL687765 0.93 KMT2A (0.37) SMN1; SMN2KMT2AMEN1LMNAHPGD
SCHEMBL686816 0.92 MEN1 (0.38) SMN1; SMN2KMT2AMEN1LMNAHPGD
SCHEMBL688605 0.91 MEN1 (0.41) SMN1; SMN2KMT2AMEN1LMNANPSR1
SCHEMBL688336 0.90 HPGD (0.38) SMN1; SMN2KMT2AMEN1LMNANPSR1
SCHEMBL688680 0.89 MEN1 (0.41) SMN1; SMN2KMT2AMEN1LMNAHPGD
SCHEMBL688345 0.88 MEN1 (0.41) SMN1; SMN2KMT2AMEN1LMNAHPGD
SCHEMBL688307 0.88 MEN1 (0.38) SMN1; SMN2KMT2AMEN1POLBITGB3
SCHEMBL688052 0.88 MEN1 (0.44) SMN1; SMN2KMT2AMEN1LMNAHPGD
SCHEMBL686968 0.88 MEN1 (0.38) SMN1; SMN2KMT2AMEN1LMNAHPGD

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