SCHEMBL10995114

SCHEMBL10995114

Cc1c(C)c2c(c(C)c1O)CC(CC/C(C(=O)O)=C(\CCC1Cc3c(C)c(O)c(C)c(C)c3OC1C)C(=O)O)C(C)O2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.42
▸ CASP4 P49662 1/20 0.42
▸ CASP5 P51878 1/20 0.42
▸ ALOX5 P09917 4/20 0.35
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 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
SCHEMBL10991452 1.00 CASP1 (0.42) CASP1CASP4CASP5ALOX5PTGS1
SCHEMBL8653783 0.90 CASP1 (0.43) CASP1CASP4CASP5ALOX5PTGS1
SCHEMBL10995284 0.88 CASP1 (0.39) CASP1CASP4CASP5ALOX5PTGS1
SCHEMBL9095595 0.81 CASP1 (0.47) CASP1CASP4CASP5ALOX5PTGS1
SCHEMBL9806294 0.80 CASP1 (0.46) CASP1CASP4CASP5ALOX5
SCHEMBL11036580 0.79 CASP1 (0.41) CASP1CASP4CASP5ALOX5PTGS1
SCHEMBL10995235 0.79 CASP1 (0.39) CASP1CASP4CASP5ALOX5PTGS1
Hydrochloric Acid SCHEMBL9806239 0.79 CASP1 (0.45) CASP1CASP4CASP5ALOX5
SCHEMBL10505267 0.78 CASP1 (0.40) CASP1CASP4CASP5ALOX5
SCHEMBL10506104 0.78 CASP1 (0.40) CASP1CASP4CASP5ALOX5

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-4523024-A STABILIZERS FOR ORGANIC MATERIALS SENSITIVE TO HEAT, LIGHT, AND/OR OXIDATIVE FACTORS KURARAY CO., LTD. (JP) 1985-06-11 — — US claimed
US-4523024-A STABILIZERS FOR ORGANIC MATERIALS SENSITIVE TO HEAT, LIGHT, AND/OR OXIDATIVE FACTORS KURARAY CO., LTD. (JP) 1985-06-11 — — US disclosed
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