SCHEMBL3158459

SCHEMBL3158459

c1ccc(-c2ccc(CCC3CCCCC3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
BRS3 P32247 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
ADAMTS4 O75173 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2D6 P10635 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL60979 0.88 CTSS (0.54) CTSSCTSKSIGMAR1
Methane SCHEMBL28304943 0.86 CTSS (0.53) CTSSCTSKSIGMAR1
SCHEMBL705394 0.86 CTSS (0.56) CTSSCTSK
SCHEMBL10455180 0.84 MAOB (0.51) RAB9AMEN1ALDH1A1KMT2A
SCHEMBL10385271 0.82 HRH3 (0.46)
SCHEMBL10385270 0.82 HRH3 (0.46)
SCHEMBL7756938 0.82 OPRM1 (0.58) CTSSCTSK
SCHEMBL10789530 0.81 GBA1 (0.50) RAB9AMEN1ALDH1A1KMT2ACYP2D6
SCHEMBL14220929 0.80 MMP12 (0.41) ALDH1A1
SCHEMBL6399518 0.79 CTSS (0.47) CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9143103-A None JP disclosed
JP-9143103-A None JP disclosed
CN-110023283-A Sulfide compound 默克专利股份有限公司 2019-07-16 CN disclosed
CN-109996791-A Single fluorination hexamethylene 默克专利股份有限公司 2019-07-09 CN disclosed
CN-109863226-A Nano capsule comprising liquid crystal media 默克专利股份有限公司 2019-06-07 CN disclosed
CN-109627658-A Composition comprising the pure and mild Nano capsule containing liquid crystal media of functional polyethylene 默克专利股份有限公司 2019-04-16 CN disclosed
CN-109476996-A Difluorstilbene derivatives 默克专利股份有限公司 2019-03-15 CN disclosed
CN-109072081-A Composition for nano encapsulation comprising a liquid crystalline medium and nanocapsules 默克专利股份有限公司 2018-12-21 CN disclosed
CN-101143808-B Fluorine phenyl compounds for liquid crystalline mixtures MERCK PATENT GMBH 2013-09-25 CN disclosed
CN-101277943-B Chiral compounds MERCK PATENT GMBH 2012-05-23 CN disclosed
CN-1211743-A Multi-domain STN LCD comprising fluorinated polyimide alignment layers MERCK PATENT GMBH (DE) 1999-03-24 CN disclosed
CN-1178550-A Electro-optical liquid crystal display MERCK PATENT GMBH (DE) 1998-04-08 CN disclosed
CN-1172496-A Electro-optic liquid crystal display MERCK PATENT GMBH (DE) 1998-02-04 CN disclosed
JP-H09143103-A 4-(2-CYCLOHEXYL) ETHYL BIPHENYL DERIVATIVE DAINIPPON INK & CHEM INC 1997-06-03 JP disclosed
JP-H09143103-A 4-(2-CYCLOHEXYL) ETHYL BIPHENYL DERIVATIVE DAINIPPON INK & CHEM INC 1997-06-03 JP disclosed
CN-1023699-C Difluoromethyl compounds MERCK PATENT GMBH (DE) 1994-02-09 CN disclosed
CN-1051926-A ELECTROOPTIC LIQUID CRYSTAL SYSTEM MERCK PATENT GES MIT BESSCHRAN (DE) 1991-06-05 CN disclosed
CN-1040024-A 2, the 3-Difluorophenol derivatives MERCK PATENT GMBH (DE) 1990-02-28 CN disclosed
CN-1039797-A difluoromethyl compound MERCK PATENT GMBH (DE) 1990-02-21 CN disclosed
CN-1037334-A Pyridine derivate MERCK PATENT GMBH (DE) 1989-11-22 CN disclosed