SCHEMBL5457450

SCHEMBL5457450

CCc1ccc2ccccc2c1C(C)C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.46
ATM Q13315 1/20 0.41
CYP2A6 P11509 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPRT1 P00492 1/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL18242235 0.87 ATM (0.41) NCEH1ATMCYP2A6ALDH1A1TSHR
SCHEMBL11349221 0.85 NCEH1 (0.46) NCEH1CYP2A6ALDH1A1TSHRHSD17B10
SCHEMBL20025856 0.81 ATM (0.37) NCEH1ATMCYP2A6ALDH1A1TSHR
SCHEMBL11263101 0.80 NCEH1 (0.47) NCEH1ALDH1A1HSD17B10TDP1CYP1A2
SCHEMBL1402654 0.78 CYP2A6 (0.46) NCEH1ATMCYP2A6ALDH1A1TSHR
SCHEMBL11466807 0.77 NCEH1 (0.51) NCEH1ATMALDH1A1TSHRTDP1
SCHEMBL8898413 0.77 KDM4E (0.39) ATMALDH1A1TDP1CYP1A2MEN1
SCHEMBL8743882 0.77 GPR84 (0.39) NCEH1ATMCYP2A6ALDH1A1TSHR
SCHEMBL18242969 0.75 ATM (0.44) NCEH1ATMCYP2A6ALDH1A1TSHR
SCHEMBL20153658 0.75 GPR84 (0.38) NCEH1ATMCYP2A6ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225476-A1 Method for producing fibrilliform crystal of aromatic polyester SUMITOMO CHEMICAL COMPANY, LIMITED 2007-09-27 US claimed
US-5254766-A Alkylation MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-10-19 US claimed
US-4900717-A USEFUL IN THE PREPARATION OF NAPHTHALENEDICARBOXYLIC ACID/2,6-/ RUTGERSWERKE AG (DE) 1990-02-13 US claimed
US-4673724-A FROM P-OXYBENZOYL AND 2-OXY-6-NAPHTHOYL COMPOUND TOYO BOSEKI KABUSHIKI KAISHA (JP) 1987-06-16 US claimed
US-20070225476-A1 Method for producing fibrilliform crystal of aromatic polyester SUMITOMO CHEMICAL COMPANY, LIMITED 2007-09-27 US disclosed
US-5705279-A HEAT RESISTANCE, DIMENSIONAL STABILITY POLYPLASTICS CO. LTD. (JP) 1998-01-06 US disclosed
EP-0481360-B1 Process for producing alkyl-substituted aromatic hydrocarbon MITSUI PETROCHEMICAL IND (JP) 1997-01-15 EP disclosed
CN-1029611-C Process for producing alkyl-substituted aromatic hydrocarbons MITSUI PETROCHEMICAL IND (JP) 1995-08-30 CN disclosed
US-5254766-A Alkylation MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-10-19 US disclosed
CN-1060833-A The production method of alkyl-substituted aromatic hydrocarbon MITSUI PETROCHEMICAL IND (JP) 1992-05-06 CN disclosed
EP-0481360-A2 Process for producing alkyl-substituted aromatic hydrocarbon MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-04-22 EP disclosed
US-4918045-A SUPPORTS, MICROCAPSULES CONTAINING COLORLESS ELECTRON-DONATING COLOR FORMER AND SOLVENT, AND ELECTRON-ACCEPTING DEVELOPER FUJI PHOTO FILM CO., LTD. (JP) 1990-04-17 US disclosed
US-4900717-A USEFUL IN THE PREPARATION OF NAPHTHALENEDICARBOXYLIC ACID/2,6-/ RUTGERSWERKE AG (DE) 1990-02-13 US disclosed
US-4900717-A USEFUL IN THE PREPARATION OF NAPHTHALENEDICARBOXYLIC ACID/2,6-/ RUTGERSWERKE AG (DE) 1990-02-13 US disclosed
US-4673724-A FROM P-OXYBENZOYL AND 2-OXY-6-NAPHTHOYL COMPOUND TOYO BOSEKI KABUSHIKI KAISHA (JP) 1987-06-16 US disclosed