SCHEMBL11269397

SCHEMBL11269397

CC(C)=CCCC(C)C(OCl)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
SRC P12931 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MSR1 P21757 1/20 0.35
ALOX15 P16050 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TRPA1 O75762 1/20 0.35
PTPN1 P18031 1/20 0.34
RIPK1 Q13546 1/20 0.33
NFE2L2 Q16236 1/20 0.33

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
SCHEMBL6236869 0.74 CYP2D6 (0.48) KDM4ETSHRATMTDP1L3MBTL1
SCHEMBL19047546 0.74 ATM (0.40) KDM4ETSHRSRCATMTDP1
SCHEMBL18055937 0.72 RIPK1 (0.52) KDM4EATMTDP1L3MBTL1ALOX15
SCHEMBL18055940 0.72 RIPK1 (0.52) KDM4EATMTDP1L3MBTL1ALOX15
SCHEMBL11617867 0.68 ALOX15 (0.43) KDM4ETSHRSRCATMTDP1
SCHEMBL11617864 0.67 KDM4E (0.42) KDM4ETSHRSRCATMTDP1
SCHEMBL21798458 0.66 CYP3A4 (0.57) KDM4ETSHRTDP1ALOX15ALDH1A1
SCHEMBL21798453 0.66 CYP3A4 (0.57) KDM4ETSHRTDP1ALOX15ALDH1A1
SCHEMBL21798455 0.66 CYP3A4 (0.57) KDM4ETSHRTDP1ALOX15ALDH1A1
SCHEMBL4226867 0.66 ALOX15 (0.45) KDM4ETSHRATMTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0054909-A2 9-Halo-8-hydroxy-4-methyl-4-nonenoic acids, derivatives thereof and a process for their preparation MITSUBISHI KASEI CORPORATION (JP) 1982-06-30 EP disclosed