SCHEMBL10458015

SCHEMBL10458015

CC(C)C(=O)c1ccc2ccc(C(C)C)cc2c1

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
EIF4A3 P38919 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.41
UGT2B7 P16662 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
USP5 P45974 1/20 0.40
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
RNASEH1 O60930 1/20 0.38
HDAC6 Q9UBN7 4/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 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
SCHEMBL10458095 0.96 KDM4E (0.52) KDM4EGAADBHRECQLEIF4A3
SCHEMBL12418686 0.84 KDM4E (0.63) KDM4EGAADBHRECQLALDH1A1
SCHEMBL10458488 0.83 CYP2A6 (0.61) KDM4EEIF4A3ALDH1A1CYP2A6CYP2C9
SCHEMBL10458008 0.81 CYP2A6 (0.65) KDM4EGAADBHRECQLALDH1A1
SCHEMBL759389 0.81 CES2 (0.61) KDM4EGAADBHRECQLALDH1A1
SCHEMBL11460091 0.81 AKR1C3 (0.59) KDM4EGAADBHRECQLALDH1A1
SCHEMBL195312 0.80 CYP2C9 (0.53) KDM4EGAADBHRECQLALDH1A1
SCHEMBL5020197 0.79 KDM4E (0.69) KDM4EGAADBHRECQLALDH1A1
SCHEMBL10457062 0.79 CYP2A6 (0.56) KDM4EEIF4A3ALDH1A1CYP2A6CYP2C9
SCHEMBL16811768 0.79 ALDH1A1 (0.54) 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