SCHEMBL6546711

SCHEMBL6546711

Cc1cc2ccccc2c(C(C)C)c1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.47
CYP2A6 P11509 4/20 0.47
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
NCEH1 Q6PIU2 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP1B1 Q16678 1/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CCR1 P32246 1/20 0.36
CCR8 P51685 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL26313219 0.86 CYP1A2 (0.47) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL1054281 0.86 CYP1A2 (0.45) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL40806 0.82 ALDH1A1 (0.44) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL2126761 0.81 CYP1A2 (0.56) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL72911 0.79 SIGMAR1 (0.39) CYP1A2CYP2A6ALDH1A1HSD17B10TSHR
SCHEMBL23119496 0.79 CYP2A6 (0.52) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
Hydrogen Peroxide SCHEMBL8610674 0.78 CYP1A2 (0.52) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL6932320 0.78 SIGMAR1 (0.38) CYP1A2CYP2A6ALDH1A1HSD17B10LMNA
SCHEMBL2810800 0.78 SIGMAR1 (0.38) CYP1A2CYP2A6ALDH1A1HSD17B10LMNA
SCHEMBL11233768 0.78 TRPM4 (0.52) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD

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 9 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
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