SCHEMBL28085676

SCHEMBL28085676

COC(=O)Cc1ccc(CN)cc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.53
PLG P00747 1/20 0.53
PLAU P00749 1/20 0.53
F11 P03951 1/20 0.53
KLKB1 P03952 1/20 0.53
F7 P08709 1/20 0.53
TPSB2 P20231 1/20 0.53
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
BRD4 O60885 2/20 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
SCHEMBL28085734 0.88 MTNR1A (0.46) MTNR1AMTNR1BNPC1PKMRAB9A
SCHEMBL28085694 0.87 CFD (0.68) CFDPLGPLAUF11KLKB1
SCHEMBL17772660 0.85 CFD (0.57) CFDPLGPLAUF11KLKB1
SCHEMBL5446276 0.84 L3MBTL1 (0.53) MTNR1AMTNR1BNPC1RAB9AALDH1A1
SCHEMBL28085581 0.84 MTNR1A (0.54) MTNR1AMTNR1BSMPD1ALDH1A1LMNA
SCHEMBL29284729 0.83 LMNA (0.52) RAB9ASMPD1HDAC1HDAC8HDAC6
SCHEMBL20954700 0.83 MTNR1A (0.58) MTNR1AMTNR1BNPC1RAB9AHDAC8
SCHEMBL28085585 0.83 FFAR4 (0.49) NPC1SMPD1HDAC1HDAC8HDAC6
SCHEMBL28085590 0.83 PTGER1 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2988197 0.82 L3MBTL1 (0.56) CFDPLGPLAUF11KLKB1

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-105849111-B Pyrans and the different cresol derivatives of baynide fibre and metabolic syndrome or treatment of inflammatory diseases pharmaceutical composition 格拉斯如睦株式会社 2018-05-04 CN disclosed
CN-105849111-A Pyranochromenyl phenol derivative, and pharmaceutical composition for treating metabolic syndrome or inflammatory disease 依如睦生物科技株式会社 2016-08-10 CN disclosed