SCHEMBL8713147

SCHEMBL8713147

COc1ccc(CC(C)[C@@H](N)[C@H](O)c2cccc(Cl)c2F)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.45
ALOX12 P18054 3/20 0.45
FOS P01100 1/20 0.40
TTR P02766 1/20 0.40
JUN P05412 1/20 0.40
NR3C1 P04150 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
ATM Q13315 1/20 0.40
LDHA P00338 1/20 0.40
CYP2D6 P10635 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
KMT2A Q03164 3/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
BLM P54132 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CFD P00746 1/20 0.37

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
SCHEMBL8713149 1.00 ALOX15 (0.45) ALOX15ALOX12FOSTTRJUN
SCHEMBL8719242 0.89 ALOX15 (0.49) ALOX15ALOX12FOSTTRJUN
SCHEMBL8719243 0.89 ALOX15 (0.49) ALOX15ALOX12FOSTTRJUN
SCHEMBL8720028 0.84 ALOX15 (0.49) ALOX15ALOX12FOSTTRJUN
SCHEMBL8720024 0.84 ALOX15 (0.49) ALOX15ALOX12FOSTTRJUN
SCHEMBL8718945 0.84 ALOX15 (0.53) ALOX15ALOX12FOSTTRJUN
SCHEMBL8718948 0.84 ALOX15 (0.53) ALOX15ALOX12FOSTTRJUN
SCHEMBL8713608 0.82 LMNA (0.39) CYP2D6KMT2ACFDLMNA
SCHEMBL8713609 0.82 LMNA (0.39) CYP2D6KMT2ACFDLMNA
SCHEMBL8716667 0.82 ALOX15 (0.51) ALOX15ALOX12FOSTTRJUN

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