SCHEMBL16269481

SCHEMBL16269481

CC(=NOCc1ccc(C(C)(F)F)cc1)c1ccc(OCC(=O)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
NPC1 O15118 3/20 0.49
S1PR1 P21453 3/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 1/20 0.47
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MAPT P10636 3/20 0.46
PPARG P37231 3/20 0.45
PPARA Q07869 3/20 0.45
MAOB P27338 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
GAA P10253 1/20 0.44
NR4A2 P43354 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL16269786 1.00 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AL3MBTL1NPC1S1PR1
SCHEMBL16269705 0.93 S1PR1 (0.55) SMN1; SMN2RAB9AL3MBTL1NPC1S1PR1
SCHEMBL16269706 0.93 S1PR1 (0.55) SMN1; SMN2RAB9AL3MBTL1NPC1S1PR1
SCHEMBL16277048 0.88 MAOB (0.58) RAB9AS1PR1MAPTPPARGPPARA
SCHEMBL16268989 0.88 S1PR1 (0.60) SMN1; SMN2RAB9AL3MBTL1NPC1S1PR1
SCHEMBL16268847 0.84 MAOB (0.54) SMN1; SMN2RAB9ANPC1S1PR1POLB
SCHEMBL16277085 0.84 RAB9A (0.69) SMN1; SMN2RAB9AL3MBTL1NPC1S1PR1
SCHEMBL16269550 0.84 RAB9A (0.69) SMN1; SMN2RAB9AL3MBTL1NPC1S1PR1
SCHEMBL16269528 0.83 MAOB (0.53) RAB9AL3MBTL1NPC1S1PR1LMNA
SCHEMBL16277057 0.83 MAOB (0.53) RAB9AL3MBTL1NPC1S1PR1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014192023-A1 NOVEL COMPOUNDS SUITABLE FOR THE TREATMENT OF DYSLIPIDEMIA CADILA HEALTHCARE LIMITED (IN) 2014-12-04 WO disclosed