SCHEMBL9577800

SCHEMBL9577800

CC(Cc1c(C(C)C)ccc2ccccc12)OO

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
NCEH1 Q6PIU2 2/20 0.35
GLA P06280 1/20 0.34
HPGD P15428 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
SCHEMBL9578028 0.82 ALDH1A1 (0.42) MAPTKDM4EALDH1A1GAATDP1
SCHEMBL5457448 0.76 NCEH1 (0.43) MAPTKDM4EALDH1A1GAATDP1
SCHEMBL28538586 0.75 L3MBTL1 (0.52) MAPTKDM4EALDH1A1GAATDP1
SCHEMBL10583442 0.74 KDM4E (0.46) MAPTKDM4EALDH1A1GAATDP1
SCHEMBL22364125 0.73 KDM4E (0.61) MAPTKDM4EALDH1A1GAATDP1
SCHEMBL1427981 0.71 CYP2A6 (0.39) MAPTALDH1A1TDP1HSD17B10CYP1A2
SCHEMBL10583447 0.71 MAPT (0.40) MAPTKDM4EALDH1A1GAATDP1
SCHEMBL9015725 0.70 HTR2A (0.61) CYP1A2
SCHEMBL24039943 0.69 MAPT (0.34) MAPTKDM4EALDH1A1GAATDP1
SCHEMBL4138605 0.69 PTPN22 (0.54) ALDH1A1TDP1LMNAHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0318591-B1 PROCESS FOR PREPARING DIHYDROXYNAPHTHALENE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-08-18 EP disclosed
US-4962241-A HYDROLYSIS OF DIACYLOXYNAPHTHALENE IN A WATER CONTAINING SOLVENT IN THE PRESENCE OF AN ACID CATALYST ; HIGH PURITY, YIELD MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-10-09 US disclosed
EP-0318591-A1 PROCESS FOR PREPARING DIHYDROXYNAPHTHALENE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-06-07 EP disclosed