SCHEMBL10458087

SCHEMBL10458087

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
AKR1C3 P42330 4/20 0.49
AKR1C2 P52895 4/20 0.49
PTGS2 P35354 3/20 0.49
PTGS1 P23219 2/20 0.49
TSHR P16473 2/20 0.49
CDC42 P60953 1/20 0.49
RAC1 P63000 1/20 0.49
CYP1A2 P05177 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
CYP2C9 P11712 1/20 0.46
FLT3 P36888 1/20 0.46

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
SCHEMBL487471 0.98 CA12 (0.51) CA12CA9AKR1C3AKR1C2PTGS2
SCHEMBL10458484 0.88 ELANE (0.50) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL29705954 0.87 CA12 (0.61) CA12CA9KDM4ETDP1GLA
SCHEMBL5352558 0.87 CA12 (0.61) CA12CA9KDM4ETDP1GLA
SCHEMBL10458486 0.86 ELANE (0.51) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL11478631 0.83 AKR1C3 (0.71) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL3974361 0.83 CA12 (0.65) CA12CA9KDM4ETDP1GLA
SCHEMBL30595409 0.83 CA12 (0.65) CA12CA9KDM4ETDP1GLA
SCHEMBL20414569 0.82 AKR1C3 (0.60) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL12363840 0.82 ABCB11 (0.50) CA12CA9AKR1C3AKR1C2PTGS2

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