SCHEMBL7989382

SCHEMBL7989382

CCCc1cc[c]c(O)c1CCC

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.33
HMGCR P04035 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
ALOX5 P09917 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
PTPN1 P18031 1/20 0.30
PTPN11 Q06124 1/20 0.30

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
SCHEMBL9359641 0.90 GABRA1 (0.39) PRKCIGABRA1GABRB2KDM4EALDH1A1
SCHEMBL7455905 0.85 TYR (0.42) ALOX5KDM4EALDH1A1HPGD
SCHEMBL5318883 0.82 CNR1 (0.35) PRKCICNR1CNR2KDM4EALDH1A1
SCHEMBL9355767 0.80 NOS2 (0.39) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL9356205 0.79 TYR (0.41) ALOX5KDM4EALDH1A1HPGD
SCHEMBL9173036 0.78
SCHEMBL817068 0.78 NOS2 (0.32) PRKCIKDM4EALDH1A1HPGD
SCHEMBL813302 0.78 KDM4E (0.31) KDM4EALDH1A1HPGD
SCHEMBL815965 0.76
SCHEMBL10773760 0.76 HMGCR (0.41) HMGCRGABRA1GABRB2ALOX5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed
EP-0457730-B1 Process for preparation of thioderivatives of alkylhydroxyanilinotriazine CIBA GEIGY AG (CH) 1994-11-09 EP disclosed
US-5086173-A Hydrogenating in presence of palladium catalyst without isolating the intermediates CIBA-GEIGY CORPORATION (US) 1992-02-04 US disclosed
EP-0457730-A2 Process for preparation of thioderivatives of alkylhydroxyanilinotriazine CIBA-GEIGY AG (CH) 1991-11-21 EP disclosed