SCHEMBL6854492

SCHEMBL6854492

CC(C)(c1ccccc1)c1cc(C(C)(C)c2ccccc2)cc(C(C)(C)c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.61
ESR2 Q92731 4/20 0.61
ALDH1A1 P00352 2/20 0.61
CYP3A4 P08684 2/20 0.61
CNR1 P21554 4/20 0.52
CNR2 P34972 4/20 0.52
MAPK1 P28482 1/20 0.48
NR3C2 P08235 3/20 0.47
TAAR1 Q96RJ0 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AR P10275 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR6 P50406 1/20 0.43
ESRRG P62508 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL3684822 0.92 ESR1 (0.67) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL35881 0.91 ESR1 (0.70) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL14910456 0.91 ESR1 (0.70) ESR1ESR2ALDH1A1CYP3A4CNR1
Water SCHEMBL28155993 0.89 ESR1 (0.64) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL24030012 0.88 ESR1 (0.50) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL28632518 0.88 CNR1 (0.50) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL22769412 0.88 ESR1 (0.50) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL647418 0.88 ESR1 (0.68) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL4314135 0.88 ESR1 (0.50) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL7535051 0.88 ESR1 (0.75) ESR1ESR2ALDH1A1CYP3A4CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5066746-A Dielectric Fluids, Lubricants And Plastics THE DOW CHEMICAL COMPANY (US) 1991-11-19 US claimed
EP-1290041-B1 SULFONATED PERFLUOROCYCLOBUTANE ION-CONDUCTING MEMBRANES 3M INNOVATIVE PROPERTIES CO (US) 2004-05-19 EP disclosed
US-6559237-B1 Sulfonated aromatic perfluorocyclobutane polymers meeting a condition selected from: a) the equivalent weight of the polymer is 5000 or less, and b) the proton conductivity of the polymer at 25 degrees C. is 0.01 Siemens per centimeter (S/cm) 3M INNOVATIVE PROPERTIES COMPANY 2003-05-06 US disclosed
EP-1290041-A1 SULFONATED PERFLUOROCYCLOBUTANE ION-CONDUCTING MEMBRANES 3M Innovative Properties Company (US) 2003-03-12 EP disclosed
WO-2001094427-A1 SULFONATED PERFLUOROCYCLOBUTANE ION-CONDUCTING MEMBRANES 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-12-13 WO disclosed
US-5159037-A Crosslinking THE DOW CHEMICAL COMPANY (US) 1992-10-27 US disclosed
US-5066746-A Dielectric Fluids, Lubricants And Plastics THE DOW CHEMICAL COMPANY (US) 1991-11-19 US disclosed