SCHEMBL8714100

SCHEMBL8714100

COc1ccc(CC(C)C(N)C(O)c2ccc(C)cc2)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 0.46
ACHE P22303 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
EPHX2 P34913 1/20 0.42
STAT3 P40763 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL8714097 1.00 ALOX15 (0.52) ALOX15ALOX12FOSTTRJUN
SCHEMBL8717228 0.90 ALOX15 (0.56) ALOX15ALOX12FOSTTRJUN
SCHEMBL8717235 0.90 ALOX15 (0.56) ALOX15ALOX12FOSTTRJUN
SCHEMBL8713918 0.89 ALOX15 (0.51) ALOX15ALOX12FOSTTRJUN
SCHEMBL8713917 0.89 ALOX15 (0.51) ALOX15ALOX12FOSTTRJUN
SCHEMBL8713857 0.88 ALOX15 (0.53) ALOX15ALOX12FOSTTRJUN
SCHEMBL8713854 0.88 ALOX15 (0.53) ALOX15ALOX12FOSTTRJUN
SCHEMBL8716943 0.86 ALOX15 (0.52) ALOX15ALOX12FOSTTRJUN
SCHEMBL8716940 0.86 ALOX15 (0.52) ALOX15ALOX12FOSTTRJUN
SCHEMBL8712985 0.85 ALOX15 (0.48) 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