SCHEMBL6547337

SCHEMBL6547337

Cc1c(CC(C)C)ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
CYP2A6 P11509 3/20 0.50
CYP1A2 P05177 1/20 0.50
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
RAB9A P51151 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
HIF1A Q16665 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL271166 0.81 TDP1 (0.45) TSHRCYP2A6CYP1A2HSD17B10ALDH1A1
SCHEMBL798808 0.80 TSHR (0.54) TSHRCYP2A6CYP1A2HSD17B10CYP3A4
SCHEMBL1244380 0.79 ALDH1A1 (0.39) TSHRCYP2A6HSD17B10ALDH1A1TDP1
SCHEMBL11036721 0.79 GABRA1 (0.57) GABRA1GABRB2
SCHEMBL6548200 0.79 CYP1A2 (0.39) TSHRCYP2A6CYP1A2HSD17B10HPGD
SCHEMBL248763 0.79 TDP1 (0.44) TSHRCYP2A6CYP1A2HSD17B10ALDH1A1
SCHEMBL248762 0.79 TDP1 (0.44) TSHRCYP2A6CYP1A2HSD17B10ALDH1A1
SCHEMBL2117024 0.79 ALDH1A1 (0.39) TSHRCYP2A6CYP1A2HSD17B10HPGD
SCHEMBL2117021 0.78 USP2 (0.39) TSHRCYP2A6CYP1A2HSD17B10ALDH1A1
SCHEMBL11207425 0.78 TDP1 (0.43) TSHRCYP2A6CYP1A2HSD17B10ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0207241-B1 FABRIC INK RIBBON Pelikan Aktiengesellschaft (DE) 1991-04-10 EP claimed
US-4900717-A USEFUL IN THE PREPARATION OF NAPHTHALENEDICARBOXYLIC ACID/2,6-/ RUTGERSWERKE AG (DE) 1990-02-13 US claimed
US-4773778-A Fabric printer ribbon comprising a liquid vehicle containing a decolorizable Lewis acid/Lewis base complex PELIKAN AKTIENGESELLSCHAFT (DE) 1988-09-27 US claimed
EP-0207241-A1 Fabric ink ribbon Pelikan Aktiengesellschaft (DE) 1987-01-07 EP claimed
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
EP-0207241-B1 FABRIC INK RIBBON Pelikan Aktiengesellschaft (DE) 1991-04-10 EP disclosed
US-4900717-A USEFUL IN THE PREPARATION OF NAPHTHALENEDICARBOXYLIC ACID/2,6-/ RUTGERSWERKE AG (DE) 1990-02-13 US disclosed
US-4773778-A Fabric printer ribbon comprising a liquid vehicle containing a decolorizable Lewis acid/Lewis base complex PELIKAN AKTIENGESELLSCHAFT (DE) 1988-09-27 US disclosed
EP-0207241-A1 Fabric ink ribbon Pelikan Aktiengesellschaft (DE) 1987-01-07 EP disclosed