SCHEMBL5457448

SCHEMBL5457448

CCc1c(C(C)C)ccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.43
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 3/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP2A6 P11509 3/20 0.41
TSHR P16473 2/20 0.41
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 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
SCHEMBL28538586 0.83 L3MBTL1 (0.52) MAPTTDP1ALDH1A1KDM4EGAA
SCHEMBL9578028 0.80 ALDH1A1 (0.42) MAPTTDP1ALDH1A1KDM4EGAA
SCHEMBL9576743 0.79 HTR2A (0.42) NCEH1MAPTTDP1ALDH1A1KDM4E
SCHEMBL10583442 0.79 KDM4E (0.46) NCEH1MAPTTDP1ALDH1A1KDM4E
SCHEMBL10583447 0.79 MAPT (0.40) MAPTTDP1ALDH1A1KDM4EGAA
SCHEMBL22364125 0.78 KDM4E (0.61) MAPTTDP1ALDH1A1KDM4EGAA
SCHEMBL9577800 0.76 MAPT (0.39) NCEH1MAPTTDP1ALDH1A1KDM4E
SCHEMBL23308358 0.75 HTR2A (0.43) NCEH1MAPTTDP1ALDH1A1KDM4E
SCHEMBL28839458 0.75 SIGMAR1 (0.44) KMT2A
SCHEMBL28611744 0.75 NCEH1 (0.46) NCEH1ALDH1A1KDM4EGAAKMT2A

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 12 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
US-5254766-A Alkylation MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-10-19 US 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-4673724-A FROM P-OXYBENZOYL AND 2-OXY-6-NAPHTHOYL COMPOUND TOYO BOSEKI KABUSHIKI KAISHA (JP) 1987-06-16 US disclosed