SCHEMBL7513802

SCHEMBL7513802

CCCCc1ccc(-c2ccc(CC)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.60
HSD17B10 Q99714 3/20 0.53
TSHR P16473 2/20 0.53
CA2 P00918 2/20 0.52
CA1 P00915 1/20 0.52
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 1/20 0.52
RARA P10276 1/20 0.52
MAPT P10636 1/20 0.52
MTOR P42345 1/20 0.52
KMT2A Q03164 1/20 0.52
TAAR1 Q96RJ0 1/20 0.50
HSD11B1 P28845 1/20 0.50
HPGD P15428 1/20 0.50
NISCH Q9Y2I1 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ESR1 P03372 2/20 0.48
ADRA2A P08913 2/20 0.48
ADORA3 P0DMS8 2/20 0.48

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
SCHEMBL11562537 0.93 RARB (0.61) RARBHSD17B10TSHRALDH1A1MEN1
SCHEMBL329514 0.93 CA2 (0.58) RARBHSD17B10CA2CA1ALDH1A1
SCHEMBL28829434 0.93 RARB (0.67) RARBHSD17B10TSHRCA2CA1
SCHEMBL5551587 0.93 RARB (0.67) RARBHSD17B10TSHRCA2CA1
SCHEMBL28900119 0.90 RARB (0.64) RARBHSD17B10TSHRCA2CA1
SCHEMBL23319637 0.86 RARB (0.60) RARBHSD17B10TSHRCA2CA1
SCHEMBL31549867 0.85 RARB (0.68) RARBHSD17B10TSHRALDH1A1MEN1
SCHEMBL1372465 0.85 ESR1 (0.64) RARBHSD17B10CA2ALDH1A1TAAR1
SCHEMBL10379965 0.85 RARB (0.68) RARBHSD17B10TSHRALDH1A1MEN1
SCHEMBL11566894 0.85 TAAR1 (0.54) RARBHSD17B10TSHRCA2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4180475-A POSITIVE ANISOTROPY OF DIELECTRIC CONSTANTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-12-25 US claimed
EP-0742275-B1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORP (JP) 2002-03-20 EP disclosed
EP-0640578-B2 Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition CHISSO CORP (JP) 2001-06-27 EP disclosed
EP-0805134-B1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORP (JP) 2000-08-30 EP disclosed
EP-0733692-B1 Liquid crystalline compound, liquid crystal composition containing the same, and display device CHISSO CORP (JP) 2000-06-14 EP disclosed
EP-0727473-B1 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2000-01-12 EP disclosed
EP-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
US-5779936-A FLUORINATED BICYCLOHEXANE OR CYCLOHEXYLETHYL CYCLOHEXANE DERIVATIVE HAVING LOW VISCOSITY AND HIGH CLEARING POINT TEMPERATURE CHISSO CORPORATION (JP) 1998-07-14 US disclosed
US-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
EP-0805134-A1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-11-05 EP disclosed
EP-0640578-B1 Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition CHISSO CORP (JP) 1997-11-05 EP disclosed
US-5653911-A Liquid crystalline compound liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1997-08-05 US disclosed
EP-0742275-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1996-11-13 EP disclosed
EP-0733692-A1 Liquid crystalline compound, liquid crystal composition containing the same, and display device Chisso Corporation (JP) 1996-09-25 EP disclosed
EP-0727473-A2 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1996-08-21 EP disclosed
EP-0679707-A1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1995-11-02 EP disclosed
EP-0640578-A1 Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition Chisso Corporation (JP) 1995-03-01 EP disclosed
US-4385002-A REACTING THALLIUM III PERCHLORATE, A CARBOXYLIC ACID, PERCHLORIC ACID AND AN AROMATIC COMPOUND RUTGERSWERKE AKTIENGESELLSCHAFT (DE) 1983-05-24 US disclosed
US-4180475-A POSITIVE ANISOTROPY OF DIELECTRIC CONSTANTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-12-25 US disclosed