SCHEMBL8040937

SCHEMBL8040937

CCCc1ccc(CCC(C2CCCCC2)C2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
EPHX1 P07099 2/20 0.37
EPHX2 P34913 1/20 0.37
SHBG P04278 1/20 0.36
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PKM P14618 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL8042890 0.86 HRH3 (0.45) MEN1KMT2AHTTALDH1A1EPHX1
SCHEMBL29144849 0.83 MEN1 (0.37) MEN1KMT2AHTTALDH1A1EPHX1
SCHEMBL28898677 0.82 EPHX1 (0.36) HTTALDH1A1EPHX1EPHX2HRH3
SCHEMBL8464214 0.82 EPHX1 (0.47) MEN1KMT2AALDH1A1EPHX1HRH3
SCHEMBL8040010 0.82 ALDH1A1 (0.42) ALDH1A1EPHX1MAOB
SCHEMBL934587 0.81 HTT (0.49) KMT2AHTTALDH1A1EPHX1EPHX2
SCHEMBL8039062 0.81 HTT (0.58) MEN1KMT2AHTTALDH1A1EPHX2
SCHEMBL12453120 0.79 EPHX1 (0.50) MEN1KMT2AEPHX1EPHX2CYP1A2
SCHEMBL8042576 0.78 EPHX1 (0.47) EPHX1HRH3MAOAMAOB
SCHEMBL11039482 0.78 ALDH1A1 (0.48) MEN1KMT2AALDH1A1EPHX1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0727473-B1 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2000-01-12 EP disclosed
EP-0675187-B1 Liquid crystalline compounds and liquid crystal composition CHISSO CORP (JP) 1999-09-15 EP disclosed
US-5833879-A LOW TEMPERATURE MISCIBILITY AND COMPATIBILITY WITH OTHER LIQUID CRYSTAL COMPOUNDS; DISPLAYS CONTAINING MIXTURES OF AT LEAST TWO COMPOUNDS, PHYSICAL PROPERTIES CHISSO CORPORATION (JP) 1998-11-10 US disclosed
US-5670085-A Liquid crystalline compound and liquid crystal CHISSO CORPORATION (JP) 1997-09-23 US disclosed
EP-0727473-A2 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1996-08-21 EP disclosed
US-5534187-A CONTAINING CYCLOHEXANE RING CHISSO CORPORATION (JP) 1996-07-09 US disclosed
EP-0675187-A2 Liquid crystalline compounds and liquid crystal composition Chisso Corporation (JP) 1995-10-04 EP disclosed