SCHEMBL8433901

SCHEMBL8433901

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.51
ALOX12 P18054 3/20 0.51
FOS P01100 1/20 0.46
TTR P02766 1/20 0.46
JUN P05412 1/20 0.46
NR3C1 P04150 1/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
PNMT P11086 1/20 0.43
LDHA P00338 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
REN P00797 3/20 0.42
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
ADRB2 P07550 1/20 0.40
ACHE P22303 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
SCHEMBL8433300 1.00 ALOX15 (0.51) ALOX15ALOX12FOSTTRJUN
SCHEMBL8716940 0.87 ALOX15 (0.52) ALOX15ALOX12FOSTTRJUN
SCHEMBL8716943 0.87 ALOX15 (0.52) ALOX15ALOX12FOSTTRJUN
SCHEMBL8713917 0.87 ALOX15 (0.51) ALOX15ALOX12FOSTTRJUN
SCHEMBL8713918 0.87 ALOX15 (0.51) ALOX15ALOX12FOSTTRJUN
SCHEMBL8713854 0.87 ALOX15 (0.53) ALOX15ALOX12FOSTTRJUN
SCHEMBL8713857 0.87 ALOX15 (0.53) ALOX15ALOX12FOSTTRJUN
SCHEMBL8713241 0.86 PPARG (0.43) ALOX15ALOX12PNMTLDHAPPARG
SCHEMBL8713237 0.86 PPARG (0.43) ALOX15ALOX12PNMTLDHAPPARG
SCHEMBL8716718 0.86 SLC6A4 (0.49) ADRB2

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-5902900-A OPTICAL PURITY, USE AS ANTI-OBESITY AGENTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-11 US disclosed
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed
US-5679557-A Process of asymmetrically reducing 1-phenyl-2-oxo-propane derivatives with microorganisms DAICEL CHEMICAL INDUSTRIES, LIMITED (JP) 1997-10-21 US disclosed