SCHEMBL28008141

SCHEMBL28008141

CC(=O)NCCCOc1cc[c]c(CN)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
MTNR1A P48039 14/20 0.49
MTNR1B P49286 14/20 0.49
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PDK2 Q15119 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL28008628 0.96 MTNR1A (0.53) L3MBTL1MTNR1AMTNR1BUSP2ALOX15
SCHEMBL9935415 0.88 L3MBTL1 (0.55) L3MBTL1MTNR1AMTNR1BUSP2ALOX15
SCHEMBL9934491 0.84 MTNR1A (0.55) L3MBTL1MTNR1AMTNR1BUSP2ALOX15
SCHEMBL9933532 0.82 L3MBTL1 (0.57) L3MBTL1MTNR1AMTNR1BUSP2ALOX15
SCHEMBL28035466 0.80 CARM1 (0.32)
SCHEMBL28035471 0.79 PDK2 (0.40) L3MBTL1PDK2
SCHEMBL28035468 0.79 ALDH1A1 (0.42) ALDH1A1LMNA
SCHEMBL28008191 0.79 PDE3B (0.44) L3MBTL1PDK2ALDH1A1LMNA
SCHEMBL9934283 0.78 MTNR1A (0.57) L3MBTL1MTNR1AMTNR1BUSP2ALOX15
SCHEMBL27793390 0.77 TSHR (0.41) L3MBTL1TSHRMAPK1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105153146-A Novel 3-hydroxyisothiazole 1-oxide derivative MOCHIDA PHARM CO LTD 2015-12-16 CN disclosed
CN-103517898-B Novel 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO.,LTD. (JP) 2015-09-30 CN disclosed
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