SCHEMBL18508692

SCHEMBL18508692

COCCCOc1cc(CO)cc(CCO)c1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 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
SCHEMBL90116 0.81 ALOX15 (0.39) MAPTKDM4EUSP2TNKS2MEN1
SCHEMBL1229227 0.73 REN (0.38) MAPTKDM4EUSP2ALDH1A1MEN1
SCHEMBL3080203 0.72 TSHR (0.44) MAPTKDM4EUSP2ALDH1A1MEN1
SCHEMBL8265145 0.70 PPARD (0.48) MAPTKDM4EALDH1A1L3MBTL1HSD17B10
SCHEMBL3977247 0.70 L3MBTL1 (0.41) MAPTKDM4EUSP2ALDH1A1L3MBTL1
SCHEMBL7952850 0.69 CYP3A4 (0.44) ALDH1A1ALOX15TSHR
SCHEMBL2810242 0.69 REN (0.48) MAPTKDM4EL3MBTL1
SCHEMBL29521379 0.69 REN (0.48) MAPTKDM4EL3MBTL1
SCHEMBL14666255 0.68 TNKS2 (0.45) MAPTTNKS2MEN1KMT2ATSHR
SCHEMBL3071677 0.68 CYP4F2 (0.54) KDM4EALDH1A1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed