SCHEMBL813387

SCHEMBL813387

Cc1cc(C=O)c2cc(C)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.47
CYP2A6 P11509 6/20 0.46
CYP1A2 P05177 6/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
SRC P12931 2/20 0.43
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MPI P34949 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
PIM3 Q86V86 1/20 0.37
NCK1 P16333 1/20 0.37

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
SCHEMBL3271938 0.80 CYP2A6 (0.61) ERN1CYP2A6CYP1A2ALDH1A1KDM4E
SCHEMBL29955718 0.78 CYP2A6 (0.57) ERN1CYP2A6CYP1A2ALDH1A1KDM4E
SCHEMBL2138975 0.78 CYP2A6 (0.57) ERN1CYP2A6CYP1A2ALDH1A1KDM4E
SCHEMBL597701 0.76 CYP1A2 (0.60) CYP2A6CYP1A2ALDH1A1KDM4EGAA
SCHEMBL15698095 0.76 ERN1 (0.47) ERN1CYP2A6CYP1A2ALDH1A1KDM4E
SCHEMBL9437612 0.74 CYP1A2 (0.57) ERN1CYP2A6CYP1A2ALDH1A1KDM4E
SCHEMBL29955696 0.74 CYP1A2 (0.57) ERN1CYP2A6CYP1A2ALDH1A1KDM4E
SCHEMBL2888296 0.73 ERN1 (0.52) ERN1CYP2A6CYP1A2ALDH1A1KDM4E
SCHEMBL15698087 0.73 ERN1 (0.48) ERN1CYP2A6CYP1A2ALDH1A1KDM4E
SCHEMBL28910002 0.73 LMNA (0.58) CYP1A2ALDH1A1KDM4EGAASRC

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2077259-B1 PROCESS FOR PRODUCTION OF 2,6-DIMETHYL-1-NAPHTHALDEHYDE MITSUBISHI GAS CHEMICAL CO (JP) 2013-05-08 EP disclosed
CN-101522603-B Process for production of 2,6-dimethyl-1-naphthaldehyde MITSUBISHI GAS CHEMICAL CO 2012-08-22 CN disclosed
US-7902405-B2 Process for production of 2,6-dimethyl-1-naphthaldehyde MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-03-08 US disclosed
US-7902405-B2 Process for production of 2,6-dimethyl-1-naphthaldehyde MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-03-08 US disclosed
US-20100004488-A1 PROCESS FOR PRODUCTION OF 2,6-DIMETHYL-1-NAPHTHALDEHYDE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-01-07 US disclosed
US-20100004488-A1 PROCESS FOR PRODUCTION OF 2,6-DIMETHYL-1-NAPHTHALDEHYDE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-01-07 US disclosed
CN-101522603-A Process for production of 2,6-dimethyl-1-naphthaldehyde MITSUBISHI GAS CHEMICAL CO (JP) 2009-09-02 CN disclosed
CN-101522603-A Process for production of 2,6-dimethyl-1-naphthaldehyde MITSUBISHI GAS CHEMICAL CO (JP) 2009-09-02 CN disclosed
EP-2077259-A1 PROCESS FOR PRODUCTION OF 2,6-DIMETHYL-1-NAPHTHALDEHYDE Mitsubishi Gas Chemical Company, Inc. (JP) 2009-07-08 EP disclosed
EP-2077259-A1 PROCESS FOR PRODUCTION OF 2,6-DIMETHYL-1-NAPHTHALDEHYDE Mitsubishi Gas Chemical Company, Inc. (JP) 2009-07-08 EP disclosed
WO-2008050691-A1 PROCESS FOR PRODUCTION OF 2,6-DIMETHYL-1-NAPHTHALDEHYDE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-05-02 WO disclosed