SCHEMBL9862272

SCHEMBL9862272

CC(C)c1ccc2c(O)c(C(C)C)c(O)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.44
PTGS1 P23219 2/20 0.44
TRPA1 O75762 1/20 0.44
CACNA1C Q13936 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HTT P42858 3/20 0.43
ALOX12 P18054 2/20 0.43
GAA P10253 2/20 0.43
HIF1A Q16665 2/20 0.43
TYR P14679 3/20 0.40
KIF11 P52732 1/20 0.39
KDM4E B2RXH2 2/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
ALOX15 P16050 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MDM4 O15151 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CYP3A4 P08684 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
SCHEMBL8090751 0.78 TRPM4 (0.50) HTTGABRA1GABRB2UGT2B7AHR
SCHEMBL9862278 0.73 GABRA1 (0.42) RNASEH1PTGS1TRPA1CACNA1CALDH1A1
SCHEMBL14566765 0.71 RNASEH1 (0.41) RNASEH1PTGS1TRPA1CACNA1CALDH1A1
SCHEMBL487544 0.70 PLAU (0.53) RNASEH1PTGS1TRPA1CACNA1CALDH1A1
SCHEMBL9008227 0.69 AHR (0.43) RNASEH1PTGS1TRPA1CACNA1CHIF1A
SCHEMBL19202399 0.68 LDHA (0.53) RNASEH1ALDH1A1GAAKDM4ETDP1
SCHEMBL17192078 0.68 RNASEH1 (0.38) RNASEH1PTGS1TRPA1CACNA1CALDH1A1
SCHEMBL14572008 0.68 TRPA1 (0.44) RNASEH1PTGS1TRPA1CACNA1CALDH1A1
SCHEMBL3912740 0.68 UGT2B7 (0.45) RNASEH1PTGS1TRPA1CACNA1CALDH1A1
SCHEMBL2171636 0.67 GABRA1 (0.42) RNASEH1PTGS1TRPA1CACNA1CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0239643-B1 PROCESS FOR OXIDIZING 2,6-DIISOPROPYLNAPHTHALENE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-08-21 EP claimed
EP-0239643-A1 PROCESS FOR OXIDIZING 2,6-DIISOPROPYLNAPHTHALENE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1987-10-07 EP claimed
EP-0239643-B1 PROCESS FOR OXIDIZING 2,6-DIISOPROPYLNAPHTHALENE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-08-21 EP disclosed