SCHEMBL9972158

SCHEMBL9972158

CC(C)C1(C(C)(C)c2ccc(O)cc2)CCC(C)(c2ccc(O)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.36
ESR2 Q92731 8/20 0.36
CYP3A4 P08684 2/20 0.36
LMNA P02545 1/20 0.36
TYR P14679 1/20 0.36
AR P10275 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR6 P50406 1/20 0.36
ESRRG P62508 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GRIN2B Q13224 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SHBG P04278 1/20 0.32

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
SCHEMBL4492789 0.76 ESR2 (0.52) ESR1ESR2CYP3A4LMNATYR
SCHEMBL3682201 0.74 ESR2 (0.39) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL8593394 0.69 ESR2 (0.40) ESR1ESR2
Phenol SCHEMBL4491407 0.69 CA12 (0.48) ESR1ESR2CYP3A4ALDH1A1
SCHEMBL2855402 0.69 ESR2 (0.38) ESR1ESR2CYP3A4LMNATYR
SCHEMBL1495106 0.68 ESR2 (0.54) ESR1ESR2CYP3A4LMNATYR
SCHEMBL5241008 0.68 ESR2 (0.60) ESR1ESR2CYP3A4LMNATYR
SCHEMBL19486880 0.68 ESR2 (0.43) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL1516123 0.67 ESR2 (0.61) ESR1ESR2CYP3A4LMNATYR
SCHEMBL34470881 0.65 PDE2A (0.42) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8574745-B2 Resin composition and organic-electrolyte battery NISSAN MOTOR CO., LTD. (JP) 2013-11-05 US disclosed
US-8574745-B2 Resin composition and organic-electrolyte battery NISSAN MOTOR CO., LTD. (JP) 2013-11-05 US disclosed
US-20120156546-A1 RESIN COMPOSITION AND ORGANIC-ELECTROLYTE BATTERY NISSAN MOTOR CO., LTD. 2012-06-21 US disclosed
US-20120156546-A1 RESIN COMPOSITION AND ORGANIC-ELECTROLYTE BATTERY NISSAN MOTOR CO., LTD. 2012-06-21 US disclosed