SCHEMBL8713918

SCHEMBL8713918

COc1ccc(CC(C)C(N)C(O)c2ccc(Cl)cc2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

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
REN P00797 2/20 0.45
LDHA P00338 1/20 0.45
MMP1 P03956 1/20 0.43
CNR1 P21554 1/20 0.43
ACHE P22303 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL8713917 1.00 ALOX15 (0.51) ALOX15ALOX12FOSTTRJUN
SCHEMBL8717235 0.89 ALOX15 (0.56) ALOX15ALOX12FOSTTRJUN
SCHEMBL8717228 0.89 ALOX15 (0.56) ALOX15ALOX12FOSTTRJUN
SCHEMBL8714100 0.89 ALOX15 (0.52) ALOX15ALOX12FOSTTRJUN
SCHEMBL8714097 0.89 ALOX15 (0.52) ALOX15ALOX12FOSTTRJUN
SCHEMBL8718428 0.88 ALOX15 (0.52) ALOX15ALOX12FOSTTRJUN
SCHEMBL8718425 0.88 ALOX15 (0.52) ALOX15ALOX12FOSTTRJUN
SCHEMBL8713854 0.87 ALOX15 (0.53) ALOX15ALOX12FOSTTRJUN
SCHEMBL8713857 0.87 ALOX15 (0.53) ALOX15ALOX12FOSTTRJUN
SCHEMBL8433300 0.87 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