SCHEMBL9504914

SCHEMBL9504914

CCC(C)(c1ccc(C(C)(c2cc(C)c(O)c(C)c2)c2cc(C)c(O)c(C)c2)cc1)c1cc(C)c(O)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.50
ESR2 Q92731 9/20 0.50
AR P10275 3/20 0.43
VDR P11473 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL5995899 0.87 ESR1 (0.52) ESR1ESR2AR
SCHEMBL226013 0.87 ESR1 (0.64) ESR1ESR2ARVDRCA1
SCHEMBL2618675 0.84 ESR1 (0.55) ESR1ESR2ARCA1CA2
SCHEMBL8735289 0.82 ESR1 (0.61) ESR1ESR2ARVDR
SCHEMBL16382360 0.82 ESR1 (0.50) ESR1ESR2ARVDRCA1
SCHEMBL24780430 0.81 ESR1 (0.48) ESR1ESR2ARVDRCA1
SCHEMBL13609942 0.79 ESR1 (0.59) ESR1ESR2ARCA1CA2
SCHEMBL2139961 0.79 ESR1 (0.59) ESR1ESR2ARMEN1KMT2A
SCHEMBL455094 0.78 CA2 (0.55) ESR1ESR2CA1CA2MEN1
SCHEMBL2314239 0.77 ESR1 (0.52) ESR1ESR2ARCA1CA2

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
EP-0251431-B1 EPOXY RESIN MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed