SCHEMBL10458484

SCHEMBL10458484

CC(C)C(=O)Oc1ccc2ccc(C(C)C)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.50
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
AKR1C3 P42330 4/20 0.47
AKR1C2 P52895 4/20 0.47
PTGS2 P35354 3/20 0.47
PTGS1 P23219 2/20 0.47
TSHR P16473 2/20 0.47
CDC42 P60953 1/20 0.47
RAC1 P63000 1/20 0.47
CYP1A2 P05177 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CA2 P00918 1/20 0.43
ALOX5 P09917 2/20 0.42

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
SCHEMBL10458486 0.98 ELANE (0.51) ELANETDP1L3MBTL1AKR1C3AKR1C2
SCHEMBL10458087 0.88 CA12 (0.50) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL487471 0.86 CA12 (0.51) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL11996303 0.84 ELANE (0.57) ELANETDP1L3MBTL1CYP1A2MAPT
SCHEMBL31322986 0.84 ELANE (0.57) ELANETDP1L3MBTL1CYP1A2MAPT
SCHEMBL10458000 0.83 ELANE (0.50) ELANETDP1CYP1A2LMNACA2
SCHEMBL18211356 0.82 ELANE (0.66) ELANEL3MBTL1PTGS2LMNAMAPT
SCHEMBL10457999 0.81 AKR1C3 (0.51) ELANETDP1AKR1C3AKR1C2PTGS1
SCHEMBL10458078 0.81 ESR1 (0.55) ELANEAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL15701612 0.80 TDP1 (0.46) TDP1L3MBTL1AKR1C3AKR1C2PTGS2

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