SCHEMBL9863203

SCHEMBL9863203

Cc1cc(-c2nc(C)c(C)o2)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.46
MAPT P10636 1/20 0.46
ESR2 Q92731 10/20 0.43
ESR1 P03372 9/20 0.43
FGFR1 P11362 1/20 0.43
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
AR P10275 1/20 0.40
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TLR8 Q9NR97 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9705710 0.80 CA1 (0.48) MAPTESR2ESR1NPC1RAB9A
SCHEMBL9863217 0.80 ESR1 (0.54) SNCAMAPTESR2ESR1HSD17B1
SCHEMBL12568356 0.79 ALOX5 (0.48) SNCAMAPTESR2ESR1
SCHEMBL9862893 0.78 NPC1 (0.51) MAPTESR2ESR1NPC1RAB9A
SCHEMBL3590075 0.76 HDAC6 (0.47) MAPTESR2ESR1HSD17B1HSD17B2
SCHEMBL11320611 0.74 NPC1 (0.59) SNCAMAPTESR2ESR1NPC1
SCHEMBL16072944 0.74 CYP1A2 (0.58) MAPTTP53MEN1KMT2A
SCHEMBL2706143 0.74 NPC1 (0.52) MAPTNPC1RAB9ATP53MEN1
SCHEMBL272034 0.72 HSD17B1 (0.68) MAPTESR2ESR1FGFR1HSD17B1
SCHEMBL29696046 0.72 HSD17B1 (0.68) MAPTESR2ESR1FGFR1HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5002960-A Viricides for combating picornaviruses STERLING DRUG, INC. (US) 1991-03-26 US disclosed
US-4939267-A Viricides STERLING DRUG INC. (US) 1990-07-03 US disclosed
US-4843087-A OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES STERLING DRUG INC. (US) 1989-06-27 US disclosed