SCHEMBL6547602

SCHEMBL6547602

CCC(C)c1cc2ccccc2c(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
CYP1A2 P05177 3/20 0.38
CYP2A6 P11509 2/20 0.38
RORC P51449 1/20 0.34
ALDH1A1 P00352 4/20 0.34
GPR84 Q9NQS5 1/20 0.34
HSD17B10 Q99714 2/20 0.33
HTR2A P28223 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
MAPT P10636 1/20 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
SCHEMBL1054279 0.81 CYP2A6 (0.43) TSHRCYP1A2CYP2A6ALDH1A1HSD17B10
SCHEMBL6546925 0.80 TSHR (0.48) TSHRCYP1A2CYP2A6ALDH1A1HSD17B10
SCHEMBL7835158 0.79 CYP1A2 (0.50) TSHRCYP1A2CYP2A6RORCALDH1A1
SCHEMBL8613669 0.74 CYP1A2 (0.40) TSHRCYP1A2CYP2A6ALDH1A1HSD17B10
SCHEMBL7835154 0.74 TSHR (0.43) TSHRCYP1A2CYP2A6RORCALDH1A1
SCHEMBL18102221 0.74 TSHR (0.52) TSHRRORCALDH1A1HPGDKDM4E
SCHEMBL15211048 0.73 TSHR (0.55) TSHRCYP1A2ALDH1A1
SCHEMBL2127427 0.73 TSHR (0.55) TSHRCYP1A2ALDH1A1
SCHEMBL18949976 0.73 HTR2A (0.42) TSHRCYP1A2CYP2A6ALDH1A1HSD17B10
SCHEMBL22288143 0.73 TSHR (0.50) TSHRCYP1A2CYP2A6RORCALDH1A1

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-1018538-B1 REFRIGERATOR FLUID COMPOSITION NIPPON MITSUBISHI OIL CORP (JP) 2017-03-22 EP disclosed
EP-0717098-B1 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON MITSUBISHI OIL CORP (JP) 2004-01-21 EP disclosed
CN-1099454-C Refrigerator oil composition and refrigerator fluid composition NIPPON OIL MITSUBISHI K K (JP) 2003-01-22 CN disclosed
CN-1260824-A Refrigerator oil composition and refrigerator fluid composition NIPPON OIL MITSUBISHI K K (JP) 2000-07-19 CN disclosed
EP-1018538-A1 REFRIGERATOR OIL COMPOSITION AND REFRIGERATOR FLUID COMPOSITION Nippon Mitsubishi Oil Corporation (JP) 2000-07-12 EP disclosed
EP-0989179-A1 Refrigerating machine oil Nippon Mitsubishi Oil Corporation (JP) 2000-03-29 EP disclosed
US-5817251-A AROMATIC HYDROCARBON LUBRICANT NIPPON OIL CO., LTD. (JP) 1998-10-06 US disclosed
EP-0599448-B1 Solvant for use in carbonless paper, comprising diisopropylmethylnaphthalene, and products utilising same KOCH IND INC (US) 1998-04-29 EP disclosed
US-5711895-A Fluid composition for use in a refrigerating machine in which the refrigerating machine oil is at least one hydrocarbon compound of a formula consisting of two phenyl groups joined through an alkylene or alkenylene group NIPPON OIL CO., LTD. (JP) 1998-01-27 US disclosed
EP-0717098-A2 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON OIL CO. LTD. (JP) 1996-06-19 EP disclosed
US-5489332-A MIXTURE KOCH INDUSTRIES, INC. (US) 1996-02-06 US disclosed
US-5385879-A Carbonless paper solvent comprising diisopropylmethylnaphthalene and products utilizing same KOCH INDUSTRIES, INC. (US) 1995-01-31 US disclosed
EP-0599448-A2 Solvant for use in carbonless paper, comprising diisopropylmethylnaphthalene, and products utilising same KOCH INDUSTRIES, INC. (US) 1994-06-01 EP disclosed