SCHEMBL6548200

SCHEMBL6548200

Cc1c(CC(C)C)cc2ccccc2c1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
CYP2A6 P11509 2/20 0.39
TSHR P16473 1/20 0.39
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
KDM4E B2RXH2 2/20 0.35
ATM Q13315 1/20 0.35
ELANE P08246 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
HIF1A Q16665 1/20 0.34
CYP1B1 Q16678 1/20 0.34
HTR2A P28223 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL26202926 0.81 TRPM4 (0.42) CYP1A2CYP2A6TSHRGABRA1GABRB2
SCHEMBL6547337 0.79 TSHR (0.50) CYP1A2CYP2A6TSHRGABRA1GABRB2
SCHEMBL2127311 0.79 ATM (0.44) CYP1A2CYP2A6TSHRKDM4EATM
SCHEMBL10790517 0.78 HTR2A (0.42) CYP1A2CYP2A6GABRA1GABRB2KDM4E
SCHEMBL7167183 0.76 GPR84 (0.49) CYP1A2CYP2A6TSHRKDM4EATM
SCHEMBL10726282 0.74 APOBEC3A (0.49) CYP1A2CYP2A6
SCHEMBL27384851 0.74 HTR2A (0.35) CYP1A2CYP2A6GABRA1GABRB2KDM4E
SCHEMBL6909531 0.74 GABRA1 (0.35) CYP1A2CYP2A6TSHRGABRA1GABRB2
SCHEMBL28362447 0.74 ESR1 (0.42) KDM4EELANEGPR84LMNAALDH1A1
SCHEMBL14626630 0.73 NQO2 (0.50) GABRA1GABRB2KDM4ELMNAALDH1A1

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