SCHEMBL6183397

SCHEMBL6183397

CC(C)Oc1nc2c(OC(C)(C)C)ccc([C@H](Cl)CO)c2s1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 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
SCHEMBL5709213 1.00 ACACB (0.34) ACACB
SCHEMBL13976846 0.89 ACACB (0.34) ACACB
SCHEMBL27553731 0.86 ACACB (0.34) ACACB
SCHEMBL3838321 0.85 ACACB (0.34) ACACB
SCHEMBL27533607 0.85 ACACB (0.34) ACACB
SCHEMBL3838311 0.85 ACACB (0.34) ACACB
SCHEMBL27553728 0.82 ACACB (0.36) ACACB
SCHEMBL6184495 0.81 ACACB (0.32) ACACB
SCHEMBL28758678 0.80 ACACB (0.33) ACACB
SCHEMBL13976844 0.79 ALDH1A1 (0.32) ACACB

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-1529038-A1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY Novartis AG (CH) 2005-05-11 EP disclosed
WO-2004016601-A1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2004-02-26 WO disclosed