SCHEMBL6650870

SCHEMBL6650870

[CH2]CCCCCCCOCC(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
USP2 O75604 1/20 0.38
HTT P42858 2/20 0.37
SPHK1 Q9NYA1 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34
PRKD3 O94806 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCI P41743 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCZ Q05513 1/20 0.33
PRKCD Q05655 1/20 0.33
PRKD1 Q15139 1/20 0.33
LPAR1 Q92633 7/20 0.33
LPAR3 Q9UBY5 7/20 0.33

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
SCHEMBL6651022 1.00 CYP3A4 (0.44) CYP3A4USP2HTTSPHK1MMP9
SCHEMBL6649906 1.00 CYP3A4 (0.44) CYP3A4USP2HTTSPHK1MMP9
SCHEMBL1092255 1.00 CYP3A4 (0.44) CYP3A4USP2HTTSPHK1MMP9
SCHEMBL6651464 1.00 CYP3A4 (0.44) CYP3A4USP2HTTSPHK1MMP9
SCHEMBL6652953 0.98 CYP3A4 (0.46) CYP3A4USP2HTTSPHK1MMP9
SCHEMBL6649647 0.91 CYP3A4 (0.47) CYP3A4USP2HTTMMP9MMP8
SCHEMBL6939839 0.87 CYP3A4 (0.64) CYP3A4USP2HTTSPHK1MMP9
SCHEMBL8457151 0.87 CYP3A4 (0.64) CYP3A4USP2HTTSPHK1MMP9
SCHEMBL5826164 0.87 CYP3A4 (0.64) CYP3A4USP2HTTSPHK1MMP9
SCHEMBL6654087 0.84 CYP3A4 (0.46) CYP3A4USP2HTTSPHK1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1120399-B1 Naphthalene compound, and liquid crystal composition and liquid crystal element using the same MITSUI CHEMICALS INC (JP) 2004-06-09 EP disclosed
EP-1120400-B1 Naphtahlene compound, and liquid crystal composition and liquid crystal element using the same MITSUI CHEMICALS INC (JP) 2003-09-24 EP disclosed
EP-0962445-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS INC (JP) 2003-02-26 EP disclosed
EP-0757032-B1 Naphthalene compound, and liquid crystal composition and liquid crystal element using the same MITSUI CHEMICALS INC (JP) 2001-12-12 EP disclosed
EP-0751133-B1 Pyrimidine compound, and liquid crystal composition and liquid crystal element using the same MITSUI CHEMICALS INC (JP) 2001-09-12 EP disclosed
EP-1120400-A1 Naphtahlene compound, and liquid crystal composition and liquid crystal element using the same Mitsui Chemicals, Inc. (JP) 2001-08-01 EP disclosed
EP-1120399-A1 Naphthalene compound, and liquid crystal composition and liquid crystal element using the same Mitsui Chemicals, Inc. (JP) 2001-08-01 EP disclosed
US-6217793-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS, INC. (JP) 2001-04-17 US disclosed
EP-0962445-A1 Acetylene compound, liquid crystal composition and liquid crystal element Mitsui Chemicals, Inc. (JP) 1999-12-08 EP disclosed
US-5861108-A IMPROVES HIGH SPEED RESPONSE PROPERTY AND TEMPERATURE DEPENDENCY OF THE RESPONSE TIME MITSUI CHEMICALS, INC. (JP) 1999-01-19 US disclosed
US-5770108-A HIGH SPEED RESPONSE, MOLECULAR ORIENTATION, HIGH CONTRAST, RECEPTIVITY MITSUI TOATSU CHEMICALS, INC. (JP) 1998-06-23 US disclosed
EP-0757032-A2 Naphthalene compound, and liquid crystal composition and liquid crystal element using the same MITSUI TOATSU CHEMICALS, INC. (JP) 1997-02-05 EP disclosed
EP-0751133-A1 Pyrimidine compound, and liquid crystal composition and liquid crystal element using the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-01-02 EP disclosed