SCHEMBL18173840

SCHEMBL18173840

CCC(F)Cc1ccco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 7/20 0.38
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
USP2 O75604 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM2 P08172 1/20 0.35
RIPK1 Q13546 1/20 0.35
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALOX5 P09917 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL28510962 0.80 MAOB (0.43) MAOBNPC1RAB9AALDH1A1HTT
SCHEMBL3933026 0.79 MAOB (0.45) MAOBNPC1RAB9AALDH1A1HTT
SCHEMBL27946214 0.79 MAOB (0.45) MAOBNPC1RAB9AALDH1A1HTT
SCHEMBL160525 0.78 MAOB (0.41) MAOBNPC1RAB9AALDH1A1HTT
SCHEMBL160524 0.78 MAOB (0.41) MAOBNPC1RAB9AALDH1A1HTT
SCHEMBL1993965 0.76 HTR2A (0.41) MAOBNPC1RAB9AALDH1A1HTT
SCHEMBL20956690 0.74 ALDH1A1 (0.41) MAOBNPC1RAB9AALDH1A1HTT
SCHEMBL105226 0.74
SCHEMBL28588901 0.72 MAOB (0.37) MAOBNPC1RAB9AALDH1A1HTT
SCHEMBL28585127 0.72 ALDH1A1 (0.39) MAOBNPC1RAB9AALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3298018-A1 PROCESS FOR THE FUNCTIONALIZATION OF SP2-H CARBONS USING FRUSTRATED LEWIS PAIR CATALYSTS. Université Laval (CA) 2018-03-28 EP claimed
WO-2016168914-A1 PROCESS FOR THE FUNCTIONALIZATION OF SP2-H CARBONS USING FRUSTRATED LEWIS PAIR CATALYSTS UNIVERSITé LAVAL (CA) 2016-10-27 WO claimed
EP-3298018-A1 PROCESS FOR THE FUNCTIONALIZATION OF SP2-H CARBONS USING FRUSTRATED LEWIS PAIR CATALYSTS. Université Laval (CA) 2018-03-28 EP disclosed
WO-2016168914-A1 PROCESS FOR THE FUNCTIONALIZATION OF SP2-H CARBONS USING FRUSTRATED LEWIS PAIR CATALYSTS UNIVERSITé LAVAL (CA) 2016-10-27 WO disclosed