SCHEMBL16269705

SCHEMBL16269705

C/C(=N\OCc1ccc(C(F)(F)F)cc1)c1ccc(OCC(=O)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.55
MAOB P27338 3/20 0.54
PPARA Q07869 3/20 0.52
PPARG P37231 2/20 0.52
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NPC1 O15118 2/20 0.50
GRM4 Q14833 1/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 2/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
MAPT P10636 3/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL16269706 1.00 S1PR1 (0.55) S1PR1MAOBPPARAPPARGRAB9A
SCHEMBL16277048 0.96 MAOB (0.58) S1PR1MAOBPPARAPPARGRAB9A
SCHEMBL16268989 0.95 S1PR1 (0.60) S1PR1MAOBPPARAPPARGRAB9A
SCHEMBL16269786 0.93 SMN1; SMN2 (0.49) S1PR1MAOBPPARAPPARGRAB9A
SCHEMBL16269481 0.93 SMN1; SMN2 (0.49) S1PR1MAOBPPARAPPARGRAB9A
SCHEMBL16268847 0.92 MAOB (0.54) S1PR1MAOBPPARAPPARGRAB9A
SCHEMBL16277057 0.91 MAOB (0.53) S1PR1MAOBPPARAPPARGRAB9A
SCHEMBL16269528 0.91 MAOB (0.53) S1PR1MAOBPPARAPPARGRAB9A
SCHEMBL16269249 0.90 MAOB (0.50) S1PR1MAOBPPARAPPARGRAB9A
SCHEMBL16269248 0.90 MAOB (0.50) S1PR1MAOBPPARAPPARGRAB9A

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