SCHEMBL878109

SCHEMBL878109

C=CCC1CCC(c2ccc(N)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 10/20 0.41
ESR1 P03372 6/20 0.41
CYP2C9 P11712 3/20 0.41
CYP3A4 P08684 2/20 0.41
SLC18A3 Q16572 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
SPHK1 Q9NYA1 1/20 0.31

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
SCHEMBL10971791 1.00 ESR2 (0.41) ESR2ESR1CYP2C9CYP3A4SLC18A3
SCHEMBL10997235 0.95 ESR2 (0.38) ESR2ESR1CYP2C9CYP3A4SLC18A3
SCHEMBL10997233 0.95 ESR2 (0.38) ESR2ESR1CYP2C9CYP3A4SLC18A3
SCHEMBL11210597 0.91 ESR2 (0.47) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL11210601 0.91 ESR2 (0.47) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL10935693 0.85 ESR2 (0.43) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL10935713 0.85 ESR2 (0.43) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL10935701 0.85 ESR2 (0.43) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL11217896 0.85 ESR2 (0.43) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL10904861 0.85 ESR2 (0.43) ESR2ESR1CYP2C9CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0126883-B1 LIQUID CRYSTALLINE CYCLOHEXYLBENZENE DERIVATIVES, THEIR PREPARATION AND THE LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM Wojskowa Akademia Techniczna im. Jaroslawa Dabrowskiego (PL) 1987-03-11 EP claimed
EP-0126883-A1 Liquid crystalline cyclohexylbenzene derivatives, their preparation and the liquid crystal compositions containing them Wojskowa Akademia Techniczna im. Jaroslawa Dabrowskiego (PL) 1984-12-05 EP claimed
JP-57159742-A None JP disclosed
JP-60146868-A None JP disclosed
JP-57183730-A None JP disclosed
JP-58185579-A None JP disclosed
EP-2619284-B2 LIQUID CRYSTAL DISPLAYS AND LIQUID CRYSTALLINE MEDIA WITH HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2022-12-28 EP disclosed
EP-3660130-B1 LIQUID CRYSTAL DISPLAYS AND LIQUID CRYSTALLINE MEDIA WITH HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2021-08-04 EP disclosed
US-11015121-B2 Liquid crystal displays and liquid crystalline media with homeotropic alignment MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2021-05-25 US disclosed
EP-3660130-A1 LIQUID CRYSTAL DISPLAYS AND LIQUID CRYSTALLINE MEDIA WITH HOMEOTROPIC ALIGNMENT Merck Patent GmbH (DE) 2020-06-03 EP disclosed
US-20190256771-A1 LIQUID CRYSTAL DISPLAYS AND LIQUID CRYSTALLINE MEDIA WITH HOMEOTROPIC ALIGNMENT MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2019-08-22 US disclosed
EP-2619284-A1 LIQUID CRYSTAL DISPLAYS AND LIQUID CRYSTALLINE MEDIA WITH HOMEOTROPIC ALIGNMENT Merck Patent GmbH (DE) 2013-07-31 EP disclosed
US-20130182202-A1 LIQUID CRYSTAL DISPLAYS AND LIQUID CRYSTALLINE MEDIA WITH HOMEOTROPIC ALIGNMENT MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-18 US disclosed
WO-2012038026-A1 LIQUID CRYSTAL DISPLAYS AND LIQUID CRYSTALLINE MEDIA WITH HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2012-03-29 WO disclosed
EP-0126883-B1 LIQUID CRYSTALLINE CYCLOHEXYLBENZENE DERIVATIVES, THEIR PREPARATION AND THE LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM Wojskowa Akademia Techniczna im. Jaroslawa Dabrowskiego (PL) 1987-03-11 EP disclosed
JP-S60146868-A 4-SUBSTITUTED PHENYL ISOTHIOCYANATE CHISSO CORP 1985-08-02 JP disclosed
EP-0126883-A1 Liquid crystalline cyclohexylbenzene derivatives, their preparation and the liquid crystal compositions containing them Wojskowa Akademia Techniczna im. Jaroslawa Dabrowskiego (PL) 1984-12-05 EP disclosed
JP-S58185579-A LIQUID CRYSTAL ESTER COMPOUND SEIKO EPSON CORP 1983-10-29 JP disclosed
JP-S57183730-A LIQUID CRYSTAL COMPOUND SEIKO EPSON CORP 1982-11-12 JP disclosed
JP-S57159742-A LIQUID CRYSTAL ESTER SEIKO EPSON CORP 1982-10-01 JP disclosed