SCHEMBL9157772

SCHEMBL9157772

CCC(CC)Cc1cccc2s[nH]c(=O)c12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ DDAH1 O94760 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ APBA1 Q02410 1/20 0.39

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
SCHEMBL10587136 0.84 MAPT (0.46) KDM4EDDAH1ALDH1A1LMNAMAPT
SCHEMBL11570093 0.83 ALDH1A1 (0.42) KDM4EDDAH1ALDH1A1LMNAMAPT
SCHEMBL11130293 0.82 KDM4E (0.39) KDM4EDDAH1ALDH1A1LMNAMAPT
SCHEMBL225596 0.80 MAPT (0.40) KDM4EDDAH1ALDH1A1LMNAMAPT
SCHEMBL11499708 0.79 GPR84 (0.40) KDM4EDDAH1ALDH1A1LMNAMAPT
SCHEMBL6554420 0.74 HTT (0.43) KDM4EDDAH1ALDH1A1LMNAMAPT
SCHEMBL16916950 0.72 ALDH1A1 (0.41) KDM4EDDAH1ALDH1A1LMNAMAPT
SCHEMBL11499817 0.70 KDM4E (0.39) KDM4EDDAH1ALDH1A1LMNAMAPT
SCHEMBL725796 0.70 ALDH1A1 (0.48) KDM4EDDAH1ALDH1A1LMNAMAPT
SCHEMBL11287716 0.69 DAO (0.39) KDM4EDDAH1ALDH1A1LMNAMAPT

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
EP-0688321-A1 N-(BETA-BRANCHED ALKYL)-1,2-BENZISOTHIAZOLIN-3-ONES, THEIR PREPARATION AND USE AS INDUSTRIAL BIOCIDES ZENECA LTD (GB) 1995-12-27 — — EP claimed
WO-1994020479-A1 N-(BETA-BRANCHED ALKYL)-1,2-BENZISOTHIAZOLIN-3-ONES, THEIR PREPARATION AND USE AS INDUSTRIAL BIOCIDES ZENECA LIMITED (GB) 1994-09-15 — — WO claimed
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