SCHEMBL8045462

SCHEMBL8045462

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(OC)cc3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.54
CYP2C9 P11712 1/20 0.52
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
ESR2 Q92731 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
CHRM4 P08173 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL7903735 1.00 DRD2 (0.54) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL8045452 1.00 DRD2 (0.54) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL5351739 0.95 DRD2 (0.58) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL5351735 0.95 DRD2 (0.58) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL6456816 0.91 DRD2 (0.46) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL6456822 0.91 DRD2 (0.46) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL10765110 0.91 DRD2 (0.51) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL10765104 0.91 DRD2 (0.51) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL9258683 0.91 DRD2 (0.54) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL9258676 0.91 DRD2 (0.54) DRD2CYP2C9MAPTALDH1A1LMNA

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57165328-A None JP disclosed
EP-0700982-B1 A liquid crystal composition and a liquid crystal display element using the same CHISSO CORP (JP) 2000-04-26 EP disclosed
EP-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
EP-0672742-B1 A hexenediyne derivative and a liquid crystal composition CHISSO CORP (JP) 1999-02-10 EP disclosed
EP-0688754-B1 DICYCLOHEXYLETHYLENE DERIVATIVE CHISSO CORP (JP) 1998-10-07 EP disclosed
US-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
US-5653911-A Liquid crystalline compound liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1997-08-05 US disclosed
EP-0597701-B1 Conjugated enyne derivative and liquid crystal composition CHISSO CORP (JP) 1997-04-16 EP disclosed
US-5618466-A THREE-COMPONENT MIXTURE OF CARBO-CONTAINING ESTERS, NITRILES, FLUORIDES AND/OR ETHERS; LOW VOLTAGE DRIVE; LOW ENERGY; CONTRAST; REDUCED TEMPERATURE-DEPENDENCY CHISSO CORPORATION (JP) 1997-04-08 US disclosed
EP-0700982-A1 A liquid crystal composition and a liquid crystal display element using the same Chisso Corporation (JP) 1996-03-13 EP disclosed
EP-0094487-B1 HYDROTERPHENYLS, THEIR PREPARATION AND THEIR USE IN DIELECTRIC LIQUID CRYSTAL MATERIAL MERCK PATENT GmbH (DE) 1987-09-09 EP disclosed
EP-0099099-B1 HIGH TEMPERATURE LIQUID CRYSTAL SUBSTANCES HAVING FOUR RINGS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE SAME Chisso Corporation (JP) 1987-04-08 EP disclosed
US-4620938-A Hydroterphenyls MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-11-04 US disclosed
EP-0090671-B1 CARBOCYLIC ESTERS HAVING LIQUID-CRYSTAL PROPERTIES AT HIGH TEMPERATURES Chisso Corporation (JP) 1985-06-19 EP disclosed
US-4502974-A SUBSTITUTED WITH HALOGEN OR NITRILE CHISSO CORPORATION (JP) 1985-03-05 US disclosed
US-4472293-A High temperature liquid crystal substances of four rings and liquid crystal compositions containing the same CHISSO CORPORATION (JP) 1984-09-18 US disclosed
EP-0099099-A2 High temperature liquid crystal substances having four rings and liquid crystal compositions containing the same Chisso Corporation (JP) 1984-01-25 EP disclosed
EP-0094487-A1 Hydroterphenyls, their preparation and their use in dielectric liquid crystal material MERCK PATENT GmbH (DE) 1983-11-23 EP disclosed
EP-0090671-A1 Carbocylic esters having liquid-crystal properties at high temperatures Chisso Corporation (JP) 1983-10-05 EP disclosed
JP-S57165328-A 4-SUBSTITUTED-(TRANS-4'-(TRANS-4\"-ALKYLCYLOHEXYL) CYCLOHEXYL)BENZENE CHISSO CORP 1982-10-12 JP disclosed