SCHEMBL20118136

SCHEMBL20118136

CCOc1ccc(C2CCC(C3CCC(C)CC3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.49
NQO1 P15559 1/20 0.47
HRH3 Q9Y5N1 1/20 0.43
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CACNA2D1 P54289 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL12990842 0.95 ESR2 (0.53) ESR2NQO1HRH3RAB9AMAOA
SCHEMBL11277532 0.90 ESR2 (0.49) ESR2NQO1HRH3RAB9AMAOA
SCHEMBL9586183 0.88 NQO1 (0.61) NQO1HRH3RAB9ACACNA2D1MAOA
SCHEMBL9508530 0.87 ESR2 (0.46) ESR2NQO1HRH3RAB9AMAOA
SCHEMBL5961794 0.87 ESR2 (0.46) ESR2NQO1HRH3RAB9AMAOA
SCHEMBL19053611 0.87 NQO1 (0.47) NQO1HRH3RAB9AALDH1A1CACNA2D1
SCHEMBL10043301 0.85 ESR2 (0.37) ESR2NQO1HRH3RAB9AALDH1A1
SCHEMBL9183969 0.85 NQO1 (0.45) NQO1HRH3RAB9AALDH1A1CACNA2D1
SCHEMBL10017498 0.85 NQO1 (0.45) ESR2NQO1RAB9ACACNA2D1MAOA
SCHEMBL10766943 0.85 NQO1 (0.45) ESR2NQO1RAB9ACACNA2D1MAOA

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-10941344-B2 Liquid crystal cell LG CHEM, LTD. 2021-03-09 US disclosed
US-20190112529-A1 LIQUID CRYSTAL CELL LG CHEM, LTD. (KR) 2019-04-18 US disclosed
EP-3343285-A1 LIQUID CRYSTAL CELL LG Chem, Ltd. (KR) 2018-07-04 EP disclosed
US-20180119011-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE THEREOF JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2018-05-03 US disclosed