SCHEMBL9167722

SCHEMBL9167722

Cc1c(C)c2c(c(C)c1O)CC(CCCN(C)C)C(C)O2

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.43
▸ CASP4 P49662 1/20 0.43
▸ CASP5 P51878 1/20 0.43
▸ ALOX5 P09917 8/20 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
SCHEMBL9095595 0.82 CASP1 (0.47) CASP1CASP4CASP5ALOX5
SCHEMBL9806294 0.81 CASP1 (0.46) CASP1CASP4CASP5ALOX5
Hydrochloric Acid SCHEMBL9806239 0.80 CASP1 (0.45) CASP1CASP4CASP5ALOX5
SCHEMBL8653783 0.77 CASP1 (0.43) CASP1CASP4CASP5ALOX5
Hydrochloric Acid SCHEMBL10753020 0.76 CASP1 (0.47) CASP1CASP4CASP5ALOX5
SCHEMBL10995114 0.75 CASP1 (0.42) CASP1CASP4CASP5ALOX5
SCHEMBL10991452 0.75 CASP1 (0.42) CASP1CASP4CASP5ALOX5
Hydrochloric Acid SCHEMBL9208692 0.75 ALOX5 (0.37) CASP1CASP4CASP5ALOX5
Hydrochloric Acid SCHEMBL9208686 0.75 ALOX5 (0.37) CASP1CASP4CASP5ALOX5
SCHEMBL10506104 0.74 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1033972-C Cardioprotective tocopherol anologs MERRELL DOW PHARMA (US) 1997-02-05 — — CN disclosed
EP-0369874-B1 Cardioprotective tocopherol analogs MERRELL DOW PHARMA (US) 1995-02-22 — — EP disclosed
CN-1042911-A CARDIOPROTECTIVE TOCOPHEROL ANOLOGS MERRELL DOW PHARMA (US) 1990-06-13 — — CN disclosed
EP-0369874-A2 Cardioprotective tocopherol analogs MERRELL DOW PHARMACEUTICALS INC. (US) 1990-05-23 — — EP disclosed
EP-0369082-A1 Cardioprotective tocopherol analogs MERRELL DOW PHARMACEUTICALS INC. (US) 1990-05-23 — — EP disclosed
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