SCHEMBL10458076

SCHEMBL10458076

Cc1cccc2ccc(C(=O)C(C)C)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.50
CYP2A6 P11509 2/20 0.50
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
DBH P09172 1/20 0.47
RECQL P46063 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM2B Q8NHM5 4/20 0.45
CYP2C9 P11712 1/20 0.43
CTSG P08311 1/20 0.41
ACP3 P15309 1/20 0.41
CMA1 P23946 1/20 0.41
MAPT P10636 1/20 0.40
NQO2 P16083 1/20 0.40
F10 P00742 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PLA2G2D Q9UNK4 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
SCHEMBL10456605 0.87 CYP1A2 (0.50) CYP1A2CYP2A6KDM4EGAADBH
SCHEMBL9400412 0.81 ALDH1A1 (0.61) CYP1A2CYP2A6KDM4EGAAALDH1A1
SCHEMBL3392440 0.81 PLA2G2D (0.55) CYP1A2CYP2A6KDM4EALDH1A1HPGD
SCHEMBL26885072 0.80 NPSR1 (0.49) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL6916112 0.79 PLA2G2D (0.54) CYP1A2CYP2A6KDM4EALDH1A1HPGD
SCHEMBL6913196 0.79 PLA2G2D (0.54) CYP1A2CYP2A6KDM4EALDH1A1HPGD
SCHEMBL6909998 0.79 PLA2G2D (0.54) CYP1A2CYP2A6KDM4EALDH1A1HPGD
SCHEMBL6916107 0.79 PLA2G2D (0.54) CYP1A2CYP2A6KDM4EALDH1A1HPGD
SCHEMBL6914715 0.79 PLA2G2D (0.54) CYP1A2CYP2A6KDM4EALDH1A1HPGD
SCHEMBL6915625 0.79 PLA2G2D (0.54) CYP1A2CYP2A6KDM4EALDH1A1HPGD

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
US-4935537-A OXIDIZING ACYLALKYLNAPHTHALENE WITH PEROXIDE, OXIDIZING PRODUCT WITH OXYGEN USING CATALYST CONTAINING COBALT AND BROMINE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1990-06-19 US disclosed
US-4801737-A Process for producing acyloxynaphthoic acids MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-01-31 US disclosed
EP-0170273-B1 PROCESS FOR PRODUCING ACYLOXYNAPHTHOIC ACIDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1988-12-28 EP disclosed
EP-0170273-A2 Process for producing acyloxynaphthoic acids MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1986-02-05 EP disclosed