SCHEMBL8716940

SCHEMBL8716940

COc1ccc(CC(C)[C@@H](N)[C@H](O)c2cccc(C)c2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.52
ALOX12 P18054 3/20 0.52
FOS P01100 1/20 0.47
TTR P02766 1/20 0.47
JUN P05412 1/20 0.47
NR3C1 P04150 1/20 0.47
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
LDHA P00338 1/20 0.43
ADRB2 P07550 3/20 0.42
ADRB1 P08588 2/20 0.42
HTR1A P08908 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
ACHE P22303 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL8716943 1.00 ALOX15 (0.52) ALOX15ALOX12FOSTTRJUN
SCHEMBL8713857 0.88 ALOX15 (0.53) ALOX15ALOX12FOSTTRJUN
SCHEMBL8713854 0.88 ALOX15 (0.53) ALOX15ALOX12FOSTTRJUN
SCHEMBL8433300 0.87 ALOX15 (0.51) ALOX15ALOX12FOSTTRJUN
SCHEMBL8433901 0.87 ALOX15 (0.51) ALOX15ALOX12FOSTTRJUN
SCHEMBL8714100 0.86 ALOX15 (0.52) ALOX15ALOX12FOSTTRJUN
SCHEMBL8714097 0.86 ALOX15 (0.52) ALOX15ALOX12FOSTTRJUN
SCHEMBL8715549 0.84 SMN1; SMN2 (0.51) ALOX15ALOX12FOSTTRJUN
SCHEMBL8715547 0.84 SMN1; SMN2 (0.51) ALOX15ALOX12FOSTTRJUN
SCHEMBL8717142 0.82 AOC3 (0.39) SLC6A4SLC6A3KCNH2GAAATM

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
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed