SCHEMBL11580010

SCHEMBL11580010

CCCCCCCCCCCCCCCCCCOCC(CSCCCCCCCCCCCCCCCCCC)OC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
F2R P25116 1/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
PLA2G4B P0C869 1/20 0.35
PRKCA P17252 1/20 0.34
PRKCD Q05655 1/20 0.34
SERPINE1 P05121 1/20 0.34
TLR2 O60603 2/20 0.34

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
SCHEMBL9843364 0.86 ESR1 (0.46) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11580833 0.86 CNR1 (0.36) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11578934 0.84 CNR2 (0.43) TLR2
SCHEMBL11578946 0.84 CNR2 (0.43) TLR2
SCHEMBL11868646 0.81 TLR2 (0.34) PLA2G4BTLR2
SCHEMBL11580879 0.79 ESR1 (0.34) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11870675 0.79 CNR2 (0.36) TLR2
SCHEMBL11580872 0.79 CNR2 (0.40) TLR2
SCHEMBL11579144 0.79 CNR2 (0.40) TLR2
SCHEMBL235122 0.78 ESR1 (0.52) ESR1AKR1C4AKR1C3AKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4071497-A LIGHT AND HEAT RESISTANT POLYOLEFINS CIBA-GEIGY CORPORATION (US) 1978-01-31 US disclosed
US-3954839-A LIGHT AND HEAT STABILIZERS FOR POLYOLEFINS CIBA-GEIGY CORPORATION (US) 1976-05-04 US disclosed