SCHEMBL8712985

SCHEMBL8712985

COc1ccc(CC(C)[C@@H](N)[C@H](O)c2ccc(C(F)(F)F)cc2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.48
ALOX12 P18054 3/20 0.48
MMP1 P03956 1/20 0.46
PPARA Q07869 5/20 0.45
PPARD Q03181 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
PDE2A O00408 1/20 0.43
FOS P01100 1/20 0.43
TTR P02766 1/20 0.43
JUN P05412 1/20 0.43
NR3C1 P04150 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
LDHA P00338 1/20 0.42
CASR P41180 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
LMNA P02545 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
SCHEMBL8712987 1.00 ALOX15 (0.48) ALOX15ALOX12MMP1PPARAPPARD
SCHEMBL8715549 0.88 SMN1; SMN2 (0.51) ALOX15ALOX12MMP1PPARASMN1; SMN2
SCHEMBL8715547 0.88 SMN1; SMN2 (0.51) ALOX15ALOX12MMP1PPARASMN1; SMN2
SCHEMBL8717235 0.85 ALOX15 (0.56) ALOX15ALOX12PPARAPPARDMAPT
SCHEMBL8714097 0.85 ALOX15 (0.52) ALOX15ALOX12PPARAPPARDSMN1; SMN2
SCHEMBL8717228 0.85 ALOX15 (0.56) ALOX15ALOX12PPARAPPARDMAPT
SCHEMBL8714100 0.85 ALOX15 (0.52) ALOX15ALOX12PPARAPPARDSMN1; SMN2
SCHEMBL8713917 0.84 ALOX15 (0.51) ALOX15ALOX12MMP1PPARAPPARD
SCHEMBL8713918 0.84 ALOX15 (0.51) ALOX15ALOX12MMP1PPARAPPARD
SCHEMBL8713854 0.84 ALOX15 (0.53) 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