SCHEMBL7948354

SCHEMBL7948354

CCCCCCCc1ccc(OC(=O)C2CCC(CCC)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.59
THRA P10827 3/20 0.59
F2 P00734 1/20 0.53
S1PR1 P21453 3/20 0.44
S1PR3 Q99500 3/20 0.44
S1PR4 O95977 2/20 0.44
S1PR5 Q9H228 2/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FAAH O00519 1/20 0.43
ALDH1A1 P00352 2/20 0.41
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41

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
SCHEMBL7948352 1.00 THRB (0.59) THRBTHRAF2S1PR1S1PR3
SCHEMBL2829784 0.99 THRB (0.56) THRBTHRAF2S1PR1S1PR3
SCHEMBL7941973 0.99 THRB (0.56) THRBTHRAF2S1PR1S1PR3
SCHEMBL11412254 0.96 THRB (0.55) THRBTHRAF2S1PR1S1PR3
SCHEMBL11410595 0.96 THRB (0.55) THRBTHRAF2S1PR1S1PR3
SCHEMBL9301954 0.95 THRB (0.53) THRBTHRAF2S1PR1S1PR3
SCHEMBL2827602 0.95 THRB (0.53) THRBTHRAF2S1PR1S1PR3
SCHEMBL9301959 0.95 THRB (0.53) THRBTHRAF2S1PR1S1PR3
SCHEMBL22396364 0.95 THRB (0.55) THRBTHRAF2S1PR1S1PR3
SCHEMBL9435191 0.95 THRB (0.55) THRBTHRAF2S1PR1S1PR3

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37270-E1 EXCELLENT ELECTRO-OPTIC STEEPNESS AND VIEWING ANGLE COMBINED WITH BIREFRINGENCE FOR USE IN STANDARD DISPLAY CELLS; MIXTURE OF 4-CYANO-3-FLUOROPHENYL BENZOATES, BENZONITRILES, ALKYLPHENYL ESTERS OF CYCLOHEXANE OR PHENYLCARBOXYLIC ACIDS MERCK PATENT GESELLSCHAFT (DE) 2001-07-10 US claimed
EP-0285617-B1 LIQUID CRYSTAL PHASE MERCK PATENT GmbH (DE) 1991-12-27 EP claimed
US-4886621-A ACCEPTABLE COMBINATION OF THRESHOLD STEEPNESS, VIEWING ANGLE AND TEMPERATURE DEPENDENCE AT LOW THRESHOLD VOLTAGE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-12-12 US claimed
US-RE37270-E1 EXCELLENT ELECTRO-OPTIC STEEPNESS AND VIEWING ANGLE COMBINED WITH BIREFRINGENCE FOR USE IN STANDARD DISPLAY CELLS; MIXTURE OF 4-CYANO-3-FLUOROPHENYL BENZOATES, BENZONITRILES, ALKYLPHENYL ESTERS OF CYCLOHEXANE OR PHENYLCARBOXYLIC ACIDS MERCK PATENT GESELLSCHAFT (DE) 2001-07-10 US disclosed
WO-1993005436-A1 ELECTROOPTICAL LIQUID CRYSTAL SYSTEM MERK PATENT GESELLSCHAFT MIT BESCHRÄNKTER HAFTUNG (DE) 1993-03-18 WO disclosed
EP-0317587-B1 LIQUID CRYSTAL PHASE MERCK PATENT GmbH (DE) 1992-01-02 EP disclosed
EP-0285617-B1 LIQUID CRYSTAL PHASE MERCK PATENT GmbH (DE) 1991-12-27 EP disclosed
US-5055224-A LIQUID CRYSTAL PHASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-10-08 US disclosed
US-4886621-A ACCEPTABLE COMBINATION OF THRESHOLD STEEPNESS, VIEWING ANGLE AND TEMPERATURE DEPENDENCE AT LOW THRESHOLD VOLTAGE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-12-12 US disclosed
EP-0317587-A1 LIQUID CRYSTAL PHASE. MERCK PATENT GMBH (DE) 1989-05-31 EP disclosed
WO-1988009360-A1 LIQUID CRYSTAL PHASE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-12-01 WO disclosed
EP-0285617-A1 LIQUID CRYSTAL PHASE. MERCK PATENT GMBH (DE) 1988-10-12 EP disclosed
WO-1988002018-A1 LIQUID CRYSTAL PHASE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-03-24 WO disclosed
US-4356104-A LIQUID CRYSTALS, ELECTROOPTICAL DISPLAY TIMEX CORPORATION (US) 1982-10-26 US disclosed
US-4313878-A LIQUID CRYSTALS TIMEX CORPORATION (US) 1982-02-02 US disclosed