SCHEMBL8863111

SCHEMBL8863111

CCOc1ccc(C(N)CC(=O)NC(=O)c2ccccc2)cc1OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
EPHX1 P07099 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
POLB P06746 1/20 0.46
TNF P01375 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PDE4A P27815 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
F2 P00734 2/20 0.44
F10 P00742 2/20 0.44
PRSS1 P07477 2/20 0.44
F7 P08709 2/20 0.44

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
SCHEMBL7994479 0.89 MAPT (0.46) NPSR1SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL7994381 0.88 NPSR1 (0.46) NPSR1SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL825343 0.87 SMN1; SMN2 (0.49) NPSR1SMN1; SMN2MAPTLMNAPOLB
SCHEMBL7994728 0.81 ALDH1A1 (0.40) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL6693234 0.80 PDE4A (0.50) NPSR1SMN1; SMN2LMNAKMT2APOLB
SCHEMBL7876133 0.79 NPSR1 (0.71) NPSR1SMN1; SMN2MAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL21494472 0.79 PDE4A (0.52) NPSR1SMN1; SMN2MAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL28323446 0.79 PDE4A (0.49) NPSR1SMN1; SMN2LMNAKMT2APOLB
SCHEMBL27827515 0.78 ALDH1A1 (0.47) SMN1; SMN2LMNAKMT2AMEN1ALDH1A1
SCHEMBL2997281 0.77 TNF (0.58) NPSR1SMN1; SMN2MAPTLMNAKMT2A

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-0800505-A1 NOVEL IMMUNOTHERAPEUTIC ARYL AMIDES CELGENE CORPORATION (US) 1997-10-15 EP disclosed
WO-1996020915-A1 NOVEL IMMUNOTHERAPEUTIC ARYL AMIDES CELGENE CORPORATION (US) 1996-07-11 WO disclosed