SCHEMBL10458095

SCHEMBL10458095

CC(C)C(=O)c1ccc2cc(C(C)C)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
GAA P10253 2/20 0.52
DBH P09172 1/20 0.52
RECQL P46063 1/20 0.52
ALDH1A1 P00352 1/20 0.45
UGT2B7 P16662 1/20 0.44
EIF4A3 P38919 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CYP2C9 P11712 1/20 0.41
MMP9 P14780 1/20 0.41
AKR1C3 P42330 5/20 0.40
AKR1C2 P52895 5/20 0.40
PTGS2 P35354 3/20 0.40
PTGS1 P23219 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
CDC42 P60953 1/20 0.40
RAC1 P63000 1/20 0.40

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
SCHEMBL10458015 0.96 KDM4E (0.52) KDM4EGAADBHRECQLALDH1A1
SCHEMBL12418686 0.88 KDM4E (0.63) KDM4EGAADBHRECQLALDH1A1
SCHEMBL759389 0.85 CES2 (0.61) KDM4EGAADBHRECQLALDH1A1
SCHEMBL11460091 0.84 AKR1C3 (0.59) KDM4EGAADBHRECQLALDH1A1
SCHEMBL10457062 0.83 CYP2A6 (0.56) KDM4EALDH1A1UGT2B7EIF4A3CES2
SCHEMBL8081677 0.83 KDM4E (0.55) KDM4EUGT2B7EIF4A3CYP2C9AKR1C3
SCHEMBL19090508 0.81 KDM4E (0.55) KDM4EGAADBHRECQLALDH1A1
SCHEMBL195312 0.80 CYP2C9 (0.53) KDM4EGAADBHRECQLALDH1A1
SCHEMBL10458488 0.79 CYP2A6 (0.61) KDM4EALDH1A1UGT2B7EIF4A3CES2
SCHEMBL3260971 0.79 CYP2A6 (0.56) KDM4EGAADBHRECQLALDH1A1

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