SCHEMBL8748112

SCHEMBL8748112

COC12CCC(c3ccc(CCO)cc3)(CC1)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 7/20 0.41
CYP4F2 P78329 6/20 0.41
CA2 P00918 2/20 0.38
TDP1 Q9NUW8 1/20 0.35
PTGS2 P35354 4/20 0.34
PPARA Q07869 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX5 P09917 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL8747855 0.79
SCHEMBL8747764 0.75 L3MBTL1 (0.37) GAAMAPT
SCHEMBL9242678 0.71 LTA4H (0.38) ALDH1A1
SCHEMBL9247339 0.70 ALDH1A1 (0.35) TSHRALDH1A1GAA
SCHEMBL8747723 0.70 HSD11B1 (0.32)
SCHEMBL40656 0.66 CA2 (0.77) CYP4A11CYP4F2CA2TDP1PPARA
SCHEMBL11532646 0.66 ESR1 (0.55) CYP4A11CYP4F2CA2TDP1CA12
Tyrosol SCHEMBL303517 0.64 CA2 (0.81) CYP4A11CYP4F2CA2TDP1PTGS2
SCHEMBL6817399 0.64 CA2 (0.58) CYP4A11CYP4F2CA2TDP1PPARA
SCHEMBL77472 0.64 TAAR1 (0.61) CYP4A11CYP4F2CA2PPARACA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0599732-B1 Derivatives of 1-phenylbicyclo-2,2,2-octane, their preparation process and pharmaceutical compositions containing them ADIR (FR) 1997-03-12 EP disclosed
US-5403953-A Antiarthritic and -inflammatory agents ADIR ET COMPAGNIE (FR) 1995-04-04 US disclosed
EP-0599732-A1 Derivatives of 1-phenylbicyclo-2,2,2-octane, their preparation process and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-06-01 EP disclosed