SCHEMBL8720024

SCHEMBL8720024

COc1ccc(CC(C)[C@@H](N)[C@H](O)c2ccccc2F)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.49
ALOX12 P18054 3/20 0.49
MMP1 P03956 1/20 0.45
FOS P01100 1/20 0.44
TTR P02766 1/20 0.44
JUN P05412 1/20 0.44
NR3C1 P04150 1/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
LDHA P00338 1/20 0.43
CYP2D6 P10635 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA1A P35348 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL8720028 1.00 ALOX15 (0.49) ALOX15ALOX12MMP1FOSTTR
SCHEMBL8718948 0.90 ALOX15 (0.53) ALOX15ALOX12FOSTTRJUN
SCHEMBL8718945 0.90 ALOX15 (0.53) ALOX15ALOX12FOSTTRJUN
SCHEMBL8716667 0.88 ALOX15 (0.51) ALOX15ALOX12FOSTTRJUN
SCHEMBL8716669 0.88 ALOX15 (0.51) ALOX15ALOX12FOSTTRJUN
SCHEMBL8713349 0.87 ALOX15 (0.56) ALOX15ALOX12FOSTTRJUN
SCHEMBL8713353 0.87 ALOX15 (0.56) ALOX15ALOX12FOSTTRJUN
SCHEMBL8719243 0.86 ALOX15 (0.49) ALOX15ALOX12FOSTTRJUN
SCHEMBL8719242 0.86 ALOX15 (0.49) ALOX15ALOX12FOSTTRJUN
SCHEMBL8713147 0.84 ALOX15 (0.45) 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