SCHEMBL50708

SCHEMBL50708

CCCc1ccc(Cc2ccc(CCC)cc2O)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.59
CNR2 P34972 1/20 0.59
ALOX5 P09917 1/20 0.50
TSHR P16473 2/20 0.46
NFKB1 P19838 2/20 0.46
HIF1A Q16665 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
DRD3 P35462 1/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
ALOX15 P16050 2/20 0.46

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
SCHEMBL1005901 0.89 CNR1 (0.61) CNR1CNR2ALOX5TSHRNFKB1
SCHEMBL50973 0.88 HTT (0.60) ALOX5TSHRHIF1AHSD17B10CYP3A4
SCHEMBL5168102 0.88 CNR1 (0.59) CNR1CNR2ALOX5TSHRNFKB1
SCHEMBL9243041 0.85 PPARA (0.59) ALOX5TSHRHIF1AHSD17B10CYP3A4
SCHEMBL5167885 0.84 TYR (0.67) CNR1CNR2ALOX5TSHRNFKB1
SCHEMBL51035 0.83 CNR1 (0.64) CNR1CNR2ALOX5TSHRNFKB1
SCHEMBL50716 0.83 TRPA1 (0.64) ALOX5MAPT
Water SCHEMBL11131805 0.82 PPARA (0.56) ALOX5TSHRHIF1AHSD17B10CYP3A4
SCHEMBL5165465 0.81 GABRA1 (0.53) CNR1CNR2ALOX5TSHRNFKB1
SCHEMBL57143 0.80 CNR1 (0.72) CNR1CNR2ALOX5TSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181853-B1 Thermosensitive recording medium JUJO PAPER CO LTD (JP) 2015-09-23 EP disclosed
US-8492308-B2 Thermosensitive recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2013-07-23 US disclosed
US-8129307-B2 Thermosensitive recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2012-03-06 US disclosed
US-20110269622-A1 THERMOSENSITIVE RECORDING MEDIUM NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2011-11-03 US disclosed
US-20110130281-A1 THERMOSENSITIVE RECORDING MEDIUM API CORPORATION 2011-06-02 US disclosed
EP-2112001-B1 THERMOSENSITIVE RECORDING MEDIUM JUJO PAPER CO LTD (JP) 2011-05-11 EP disclosed
EP-2261045-A1 HEAT-SENSITIVE RECORDING MEDIUM Nippon Paper Industries Co., Ltd. (JP) 2010-12-15 EP disclosed
EP-2181853-A1 THERMAL RECORDING MATERIAL Nippon Paper Industries Co., Ltd. (JP) 2010-05-05 EP disclosed
US-20100099557-A1 Thermosensitive Recording Medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2010-04-22 US disclosed
EP-0333445-B1 Aromatic allene compounds and preparation thereof NIPPON PAINT CO LTD (JP) 1995-01-18 EP disclosed
US-5340931-A Chemical intermediates for allyl or vinyl ether polymers NIPPON PAINT CO., LTD. (JP) 1994-08-23 US disclosed
EP-0457334-B1 Carbonates of acetylenic alcohols NIPPON PAINT CO LTD (JP) 1994-08-10 EP disclosed
US-5258542-A Carbonates of acetylenic alcohols NIPPON PAINT CO., LTD. (JP) 1993-11-02 US disclosed
US-5194653-A Useful in making heat resistant liquid crystalline polymers NIPPON PAINT COMPANY, LIMITED (JP) 1993-03-16 US disclosed
EP-0457334-A1 Carbonates of acetylenic alcohols NIPPON PAINT CO., LTD. (JP) 1991-11-21 EP disclosed
EP-0333445-A2 Aromatic allene compounds and preparation thereof NIPPON PAINT CO., LTD. (JP) 1989-09-20 EP disclosed