SCHEMBL5236773

SCHEMBL5236773

CC(C)Oc1nc2ccc(OC(C)(C)C)c(C=O)c2s1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.39
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
CA2 P00918 1/20 0.31
ACACA Q13085 1/20 0.30

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
SCHEMBL5239679 0.82 ACACB (0.35) ACACBCYP2C9CYP2C19CYP1A2MAPT
SCHEMBL616550 0.75
SCHEMBL13977162 0.75 ACACB (0.33) ACACB
SCHEMBL6184495 0.73 ACACB (0.32) ACACBCYP2C9CYP2C19CYP1A2MAPT
SCHEMBL13976844 0.70 ALDH1A1 (0.32) ACACB
SCHEMBL13860726 0.70 ALDH1A1 (0.32) ACACB
SCHEMBL28758678 0.70 ACACB (0.33) ACACB
SCHEMBL27553731 0.68 ACACB (0.34) ACACB
SCHEMBL614538 0.68
SCHEMBL3834654 0.67 ACACB (0.35) 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-1819686-A1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECPTOR AGONIST ACTIVITY Novartis AG (CH) 2007-08-22 EP disclosed
WO-2006056471-A1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2006-06-01 WO disclosed