SCHEMBL9618414

SCHEMBL9618414

CC(C)(c1ccc(C(C)(C)c2c(O)ccc3ccc(O)cc23)cc1)c1c(O)ccc2ccc(O)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 7/20 0.47
▸ ESR2 Q92731 5/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ AR P10275 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ HTR6 P50406 1/20 0.47
▸ ESRRG P62508 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.41
▸ ALOX15 P16050 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TYR P14679 2/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ MIF P14174 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL23861567 0.86 ESR1 (0.41) ESR1ESR2HSD17B10CYP3A4HPGD
SCHEMBL29493119 0.83 LMNA (0.50) ESR1ESR2HSD17B10HPGDALDH1A1
SCHEMBL2186567 0.83 LMNA (0.50) ESR1ESR2HSD17B10HPGDALDH1A1
SCHEMBL23861411 0.81 ESR1 (0.41) ESR1ESR2HSD17B10CYP3A4ALDH1A1
SCHEMBL13609975 0.78 ESR1 (0.68) ESR1ESR2HSD17B10CYP3A4HPGD
SCHEMBL23861444 0.78 ESR1 (0.50) ESR1ESR2HSD17B10CYP3A4ALDH1A1
SCHEMBL23861459 0.78 CYP2C9 (0.44) ESR1ESR2HSD17B10CYP3A4ALDH1A1
SCHEMBL23861487 0.78 CYP1A2 (0.46) ESR1ESR2LMNAMCL1TDP1
SCHEMBL23861513 0.77 LMNA (0.40) ESR1ESR2HSD17B10ALDH1A1ALOX15
SCHEMBL23082042 0.77 ESR1 (0.48) ESR1ESR2CYP3A4ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4328115-A — — None — — JP disclosed
JP-H04328115-A EPOXY RESIN COMPOSITION, PRODUCTION OF EPOXY RESIN AND SEMICONDUCTOR-SEALING MATERIAL DAINIPPON INK & CHEM INC 1992-11-17 — — JP disclosed
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