SCHEMBL8713854

SCHEMBL8713854

COc1ccc(CC(C)[C@@H](N)[C@H](O)c2ccccc2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.53
ALOX12 P18054 2/20 0.53
LDHA P00338 1/20 0.50
ADRB2 P07550 1/20 0.49
FOS P01100 1/20 0.48
TTR P02766 1/20 0.48
JUN P05412 1/20 0.48
NR3C1 P04150 1/20 0.48
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
ADRA2A P08913 1/20 0.45
ADRA2C P18825 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL8713857 1.00 ALOX15 (0.53) ALOX15ALOX12LDHAADRB2FOS
SCHEMBL8717228 0.88 ALOX15 (0.56) ALOX15ALOX12LDHAADRB2FOS
SCHEMBL8714100 0.88 ALOX15 (0.52) ALOX15ALOX12LDHAFOSTTR
SCHEMBL8714097 0.88 ALOX15 (0.52) ALOX15ALOX12LDHAFOSTTR
SCHEMBL8717235 0.88 ALOX15 (0.56) ALOX15ALOX12LDHAADRB2FOS
SCHEMBL8716943 0.88 ALOX15 (0.52) ALOX15ALOX12LDHAADRB2FOS
SCHEMBL8716940 0.88 ALOX15 (0.52) ALOX15ALOX12LDHAADRB2FOS
SCHEMBL8713918 0.87 ALOX15 (0.51) ALOX15ALOX12LDHAFOSTTR
SCHEMBL8713917 0.87 ALOX15 (0.51) ALOX15ALOX12LDHAFOSTTR
SCHEMBL8718945 0.87 ALOX15 (0.53) ALOX15ALOX12LDHAFOSTTR

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