SCHEMBL28008147

SCHEMBL28008147

CCOCCOc1cc(C)c(-c2cccc(OC)c2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.53
BRD4 O60885 1/20 0.43
APP P05067 1/20 0.42
MAPK1 P28482 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42

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
SCHEMBL30833000 0.84 FFAR1 (0.55) FFAR1
SCHEMBL1099545 0.81 FFAR1 (0.62) FFAR1
SCHEMBL5038332 0.80 MAPK1 (0.62) APPMAPK1ALOX15TSHR
SCHEMBL1099011 0.80 FFAR1 (0.53) FFAR1BRD4
SCHEMBL27913199 0.77 FFAR1 (0.59) FFAR1
SCHEMBL1133232 0.75 ACHE (0.55) BRD4TSHRDYRK1ACLK4
SCHEMBL11896604 0.75 ACHE (0.54) BRD4DYRK1ACLK4
SCHEMBL12578512 0.75 FFAR1 (0.71) FFAR1
SCHEMBL15219217 0.73 KDM4E (0.57) MAPK1TSHR
SCHEMBL15295214 0.73 ALDH1A1 (0.48) APPMAPK1ALOX15TSHR

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
CN-104710381-A Novel 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARM CO LTD 2015-06-17 CN disclosed
CN-102712610-B Novel 3-hydroxy-5-arylisothiazole derivatives MOCHIDA PHARM CO LTD 2015-03-04 CN disclosed