SCHEMBL9815739

SCHEMBL9815739

CCCCCCCC1CCC(C2CCCCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.61
SIGMAR1 Q99720 3/20 0.47
LSS P48449 2/20 0.41
EPHX1 P07099 1/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
CCR2 P41597 1/20 0.38
NAAA Q02083 2/20 0.37

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
SCHEMBL10747299 1.00 CYP1A2 (0.61) CYP1A2SIGMAR1LSSEPHX1HTT
SCHEMBL10747305 1.00 CYP1A2 (0.61) CYP1A2SIGMAR1LSSEPHX1HTT
SCHEMBL10747310 1.00 CYP1A2 (0.61) CYP1A2SIGMAR1LSSEPHX1HTT
SCHEMBL9815173 1.00 CYP1A2 (0.61) CYP1A2SIGMAR1LSSEPHX1HTT
SCHEMBL10435688 1.00 CYP1A2 (0.61) CYP1A2SIGMAR1LSSEPHX1HTT
SCHEMBL6367142 0.98 CYP1A2 (0.64) CYP1A2SIGMAR1LSSEPHX1HTT
SCHEMBL9355334 0.98 CYP1A2 (0.64) CYP1A2SIGMAR1LSSEPHX1HTT
SCHEMBL10768312 0.96 CYP1A2 (0.68) CYP1A2SIGMAR1LSSEPHX1HTT
Biphenyl SCHEMBL2875602 0.94 CYP1A2 (0.71) CYP1A2SIGMAR1LSSEPHX1HTT
SCHEMBL10486181 0.91 CYP1A2 (0.52) CYP1A2SIGMAR1LSSEPHX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0120463-B1 ANTHRAQUINONE DYES AND LIQUID CRYSTAL COMPOSITIONS INCLUDING THE SAME HITACHI, LTD. (JP) 1991-11-06 EP disclosed
EP-0360521-A2 Achiral fluorine-containing liquid crystals MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-03-28 EP disclosed
EP-0098736-B1 ANTHRAQUINONE DYES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE DYES MITSUBISHI KASEI CORPORATION (JP) 1989-12-06 EP disclosed
EP-0120717-B1 ANTHRAQUINONE DYES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE DYES MITSUBISHI KASEI CORPORATION (JP) 1988-12-07 EP disclosed
US-4610804-A Anthraquinone dyes and liquid crystal compositions including the same HITACHI, LTD. (JP) 1986-09-09 US disclosed
US-4528113-A Anthraquinone dye and liquid crystal composition containing the dye MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1985-07-09 US disclosed
US-4507221-A Anthraquinone dye and liquid crystal composition containing the same MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1985-03-26 US disclosed
EP-0120717-A2 Anthraquinone dyes and liquid crystal compositions containing the dyes MITSUBISHI KASEI CORPORATION (JP) 1984-10-03 EP disclosed
EP-0120463-A2 Anthraquinone dyes and liquid crystal compositions including the same HITACHI, LTD. (JP) 1984-10-03 EP disclosed
EP-0098736-A2 Anthraquinone dyes and liquid crystal compositions containing the dyes MITSUBISHI KASEI CORPORATION (JP) 1984-01-18 EP disclosed