SCHEMBL548268

SCHEMBL548268

CCCCC[C@H]1CC[C@H](c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
CYP2C9 P11712 2/20 0.46
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
SPHK1 Q9NYA1 2/20 0.44
GAA P10253 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ESR2 Q92731 1/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL548269 1.00 DRD2 (0.49) DRD2CYP2C9MAPTMEN1KMT2A
SCHEMBL28160606 0.98 DRD2 (0.47) DRD2CYP2C9MAPTMEN1KMT2A
SCHEMBL10348257 0.98 DRD2 (0.47) DRD2CYP2C9MAPTMEN1KMT2A
SCHEMBL9751722 0.98 DRD2 (0.47) DRD2CYP2C9MAPTMEN1KMT2A
SCHEMBL7732963 0.97 DRD2 (0.46) DRD2CYP2C9MAPTMEN1KMT2A
SCHEMBL8138102 0.95 DRD2 (0.45) DRD2CYP2C9MAPTMEN1KMT2A
SCHEMBL8138097 0.95 DRD2 (0.45) DRD2CYP2C9MAPTMEN1KMT2A
SCHEMBL7732647 0.95 DRD2 (0.45) DRD2CYP2C9MAPTMEN1KMT2A
SCHEMBL1789931 0.95 DRD2 (0.50) DRD2CYP2C9MAPTMEN1KMT2A
SCHEMBL1791654 0.95 DRD2 (0.50) DRD2CYP2C9MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107987849-A A kind of liquid crystal aligning immunomodulator compounds and preparation method thereof 烟台丰鲁精细化工有限责任公司 2018-05-04 CN claimed
CN-108008600-B Radiation-sensitive composition 三菱瓦斯化学株式会社 2021-02-09 CN disclosed
EP-2080750-B1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2020-07-29 EP disclosed
CN-108008600-A Radiation-ray sensitive composition 三菱瓦斯化学株式会社 2018-05-08 CN disclosed
CN-107987849-A A kind of liquid crystal aligning immunomodulator compounds and preparation method thereof 烟台丰鲁精细化工有限责任公司 2018-05-04 CN disclosed
US-9897913-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-02-20 US disclosed
CN-107109227-A Ultraviolet light absorber 光学转变公司 2017-08-29 CN disclosed
CN-103102251-B Radiation-ray sensitive composition MITSUBISHI GAS CHEMICAL INC. (JP) 2016-01-20 CN disclosed
US-20150030980-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2015-01-29 US disclosed
CN-104281006-A Radiation-sensitive composition MITSUBISHI GAS CHEMICAL CO 2015-01-14 CN disclosed
US-5474707-A Electrooptic display DAINIPPON INK AND CHEMICALS, INC. (JP) 1995-12-12 US disclosed
EP-0637623-A1 Cyclic hydrocarbon derivative and liquid crystal composition containing the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1995-02-08 EP disclosed
WO-1991011418-A1 PARTIALLY FLUORINATED COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-08-08 WO disclosed
US-4572794-A Acetonitriles, their preparation, and dielectrics and electro-optical display elements containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-02-25 US disclosed
EP-0030277-B1 PARTIALLY HYDROGENATED OLIGO-1,4-PHENYLENES, DIELECTRICS CONTAINING THEM AND ELECTRO-OPTICAL INDICATING DEVICE MERCK PATENT GmbH (DE) 1983-07-27 EP disclosed
US-4331552-A Liquid crystalline, partially hydrogenated oligo-1,4-phenylenes and dielectrics and electro-optical display elements containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-05-25 US disclosed
EP-0030277-A1 Partially hydrogenated oligo-1,4-phenylenes, dielectrics containing them and electro-optical indicating device MERCK PATENT GmbH (DE) 1981-06-17 EP disclosed
US-4229367-A Preparation of trans-4-alkyl-cyanoarylcyclohexanes SIEGFRIED AKTIENGESELLSCHAFT (CH) 1980-10-21 US disclosed
EP-0005793-A1 Process for the preparation of trans-4-alkyl-cyanoarylcyclohexanes SIEGFRIED AKTIENGESELLSCHAFT (CH) 1979-12-12 EP disclosed
US-4130502-A Liquid crystalline cyclohexane derivatives MERCK PATENT GESELLSCHAFT MIT (DE) 1978-12-19 US disclosed