SCHEMBL11058285

SCHEMBL11058285

CCC(c1ccc(OC(C)=O)c(F)c1)C(C)c1ccc(OC(C)=O)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
SHBG P04278 1/20 0.42
FAAH O00519 2/20 0.41
ESR1 P03372 1/20 0.37
HIF1A Q16665 1/20 0.37
PTGS2 P35354 2/20 0.36
PTGS1 P23219 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
CFD P00746 2/20 0.35
MME P08473 1/20 0.34
FFAR1 O14842 1/20 0.33
PGR P06401 1/20 0.33
PDE4A P27815 1/20 0.33

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
SCHEMBL23620729 0.94 SHBG (0.53) CYP4F2CYP4A11SHBGFAAHESR1
Acefluranol SCHEMBL2110861 0.81 CYP4F2 (0.41) CYP4F2CYP4A11SHBGFAAHESR1
SCHEMBL17356430 0.81 MRGPRX4 (0.47) CYP4F2CYP4A11FAAHHIF1APTGS2
SCHEMBL14268223 0.81 CYP4F2 (0.45) CYP4F2CYP4A11FAAHPTGS1MRGPRX4
Bifluranol SCHEMBL23620730 0.78 SHBG (0.65) SHBGESR1HIF1APTGS2PTGS1
SCHEMBL26239373 0.76 PTGS2 (0.40) CYP4F2CYP4A11FAAHHIF1APTGS2
SCHEMBL178987 0.75 TSHR (0.55) HIF1APTGS1KDM4EALDH1A1GAA
Bifluranol SCHEMBL131387 0.74 SHBG (0.73) SHBGESR1HIF1APTGS2PTGS1
Bifluranol SCHEMBL29928815 0.74 SHBG (0.73) SHBGESR1HIF1APTGS2PTGS1
Bifluranol SCHEMBL1650515 0.74 SHBG (0.73) SHBGESR1HIF1APTGS2PTGS1

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-4427697-A ANTIESTROGENS BIOREX LABORATORIES LIMITED (GB) 1984-01-24 US disclosed