SCHEMBL9578024

SCHEMBL9578024

CC(O)Cc1ccc2ccccc2c1CC(C)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
ALDH1A1 P00352 5/20 0.43
GAA P10253 4/20 0.43
HSD17B10 Q99714 3/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
CYP2A6 P11509 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 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
SCHEMBL29227176 0.82 HSD17B10 (0.61) KDM4EMAPTTDP1ALDH1A1GAA
SCHEMBL6176510 0.82 TSHR (0.47) KDM4EMAPTTDP1ALDH1A1GAA
SCHEMBL271166 0.81 TDP1 (0.45) KDM4EMAPTTDP1ALDH1A1GAA
SCHEMBL9578028 0.81 ALDH1A1 (0.42) KDM4EMAPTTDP1ALDH1A1GAA
Hydrogen Sulfide SCHEMBL28084470 0.80 TDP1 (0.44) KDM4EMAPTTDP1ALDH1A1GAA
SCHEMBL248763 0.80 TDP1 (0.44) KDM4EMAPTTDP1ALDH1A1GAA
SCHEMBL248762 0.80 TDP1 (0.44) KDM4EMAPTTDP1ALDH1A1GAA
SCHEMBL2396477 0.79 HTR2A (0.50) KDM4EMAPTTDP1ALDH1A1GAA
SCHEMBL10355407 0.79 CTNNB1 (0.53) KDM4ETDP1ALDH1A1KMT2ACYP1A2
SCHEMBL12532092 0.79 CTNNB1 (0.53) KDM4ETDP1ALDH1A1KMT2ACYP1A2

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 4 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
US-4814521-A Process for producing 2,6-dihydroxynaphthalene and 2,6-diacetoxynaphthalene KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-03-21 US disclosed