SCHEMBL6547332

SCHEMBL6547332

Cc1ccc2ccccc2c1CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.50
TSHR P16473 4/20 0.50
CYP2A6 P11509 3/20 0.50
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 3/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
HSD17B10 Q99714 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.40
HIF1A Q16665 1/20 0.40
HPGD P15428 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HPRT1 P00492 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
SCHEMBL6176510 0.85 TSHR (0.47) CYP1A2TSHRCYP2A6ALDH1A1TDP1
SCHEMBL271166 0.81 TDP1 (0.45) CYP1A2TSHRCYP2A6ALDH1A1TDP1
SCHEMBL6249203 0.79 TSHR (0.58) CYP1A2TSHRCYP2A6ALDH1A1TDP1
SCHEMBL16042478 0.79 TSHR (0.58) CYP1A2TSHRCYP2A6ALDH1A1TDP1
SCHEMBL248763 0.79 TDP1 (0.44) CYP1A2TSHRCYP2A6ALDH1A1TDP1
SCHEMBL248762 0.79 TDP1 (0.44) CYP1A2TSHRCYP2A6ALDH1A1TDP1
SCHEMBL4629575 0.79 ALDH1A1 (0.44) CYP1A2TSHRCYP2A6ALDH1A1TDP1
SCHEMBL18029890 0.79 KDM4E (0.64) CYP1A2ALDH1A1TDP1KDM4EMAPT
SCHEMBL6548197 0.78 CYP1A2 (0.41) CYP1A2TSHRCYP2A6ALDH1A1TDP1
SCHEMBL11346462 0.78 ALDH1A1 (0.43) CYP1A2TSHRCYP2A6ALDH1A1TDP1

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
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-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
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
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
US-3989746-A ANALGESICS, ANTIINFLAMMATORY AGENTS IKEDA MOHANDO CO., LTD. (JA) 1976-11-02 US disclosed