SCHEMBL9652258

SCHEMBL9652258

CC(C)(C)c1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.84
TYR P14679 1/20 0.84
ESR1 P03372 6/20 0.70
ESR2 Q92731 6/20 0.70
ESRRG P62508 6/20 0.59
CYP3A4 P08684 2/20 0.59
TSHR P16473 2/20 0.59
HPGD P15428 2/20 0.59
HSD17B10 Q99714 2/20 0.59
AR P10275 1/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A4 P31645 1/20 0.59
HTR6 P50406 1/20 0.59
SLC6A3 Q01959 1/20 0.59
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
UQCRB P14927 1/20 0.53
ALDH1A1 P00352 2/20 0.50
SHBG P04278 1/20 0.48
ALOX15 P16050 1/20 0.46

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
SCHEMBL19157 0.92 LMNA (1.00) LMNATYRESR1ESR2ESRRG
SCHEMBL18750 0.92 ESR1 (0.80) LMNATYRESR1ESR2ESRRG
SCHEMBL22335854 0.92 ESR1 (0.80) LMNATYRESR1ESR2ESRRG
SCHEMBL4063477 0.92 ESR1 (0.80) LMNATYRESR1ESR2ESRRG
SCHEMBL22336149 0.90 ESR1 (0.70) LMNATYRESR1ESR2ESRRG
Fluoride SCHEMBL8897268 0.89 LMNA (0.94) LMNATYRESR1ESR2ESRRG
Hydrogen Sulfide SCHEMBL20597835 0.89 LMNA (0.94) LMNATYRESR1ESR2ESRRG
Hydrochloric Acid SCHEMBL6851208 0.89 LMNA (0.94) LMNATYRESR1ESR2ESRRG
Hydrogen Sulfide SCHEMBL10324233 0.89 LMNA (0.94) LMNATYRESR1ESR2ESRRG
Hydrogen Sulfide SCHEMBL1975873 0.89 LMNA (0.94) LMNATYRESR1ESR2ESRRG

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
US-5138001-A Optical disc substrates; low birefringence, heat and moisture absorption resistance, high transparency TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1992-08-11 US disclosed
EP-0415729-A2 Vinylphenyl compound, process for the production thereof, polymerizable composition containing same, and crosslinked polymer formed therefrom TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1991-03-06 EP disclosed