SCHEMBL7565930

SCHEMBL7565930

CCc1ccc(O)c(Sc2cc(CC)ccc2O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.61
ALOX15 P16050 4/20 0.54
HSD17B10 Q99714 4/20 0.54
MEN1 O00255 3/20 0.54
HPGD P15428 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 3/20 0.54
ALOX12 P18054 3/20 0.54
LMNA P02545 2/20 0.54
TP53 P04637 2/20 0.54
GAA P10253 2/20 0.54
ALDH1A1 P00352 3/20 0.48
HTT P42858 3/20 0.48
PLA2G1B P04054 1/20 0.48
HSP90AA1 P07900 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48

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
SCHEMBL5988981 0.85 TRPA1 (0.50) TRPA1ALOX15HSD17B10MEN1HPGD
SCHEMBL11659597 0.84 MAPT (0.52) TRPA1ALOX15HSD17B10MEN1HPGD
SCHEMBL24010953 0.83 TRPA1 (0.57) TRPA1ALOX15HSD17B10MEN1HPGD
SCHEMBL11658647 0.82 MEN1 (0.50) TRPA1ALOX15HSD17B10MEN1HPGD
SCHEMBL9804152 0.80 HPGD (0.53) ALOX15HSD17B10MEN1HPGDKMT2A
SCHEMBL11580090 0.79 KAT8 (0.55) ALOX15HSD17B10HPGDLMNATP53
SCHEMBL11579827 0.77 KAT8 (0.58) ALOX15HSD17B10MEN1KMT2AMAPT
SCHEMBL11705796 0.77 KAT8 (0.58) ALOX15HSD17B10MEN1KMT2AMAPT
SCHEMBL7559109 0.77 KAT8 (0.58) ALOX15HSD17B10MEN1KMT2AMAPT
SCHEMBL40120 0.77 KAT8 (0.58) ALOX15HSD17B10MEN1KMT2AMAPT

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
WO-2002078970-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-10-10 WO disclosed
WO-2002068206-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-09-06 WO disclosed
US-4076689-A ZINC OXIDE, A ZINC DIHYDROCARBYLDITHIOCARBAMATE,A NICKEL BIS(HYDROXYPHENYL-ALKYLPHOSPHONATE) PHILLIPS PETROLEUM COMPANY (US) 1978-02-28 US disclosed