SCHEMBL28085581

SCHEMBL28085581

CCCCc1ccc(CC(=O)OC)c(OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.54
MTNR1B P49286 4/20 0.54
APP P05067 1/20 0.50
FFAR4 Q5NUL3 1/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTGER1 P34995 2/20 0.44
PTGER4 P35408 2/20 0.44
PTGER3 P43115 2/20 0.44
PTGER2 P43116 2/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMPD1 P17405 1/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 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
SCHEMBL28085734 0.88 MTNR1A (0.46) MTNR1AMTNR1BAPPFFAR4LMNA
SCHEMBL20954703 0.86 MEN1 (0.51) MTNR1AMTNR1BALDH1A1LMNAPPARG
SCHEMBL28085676 0.84 CFD (0.53) MTNR1AMTNR1BAPPFFAR4ALDH1A1
SCHEMBL5446276 0.81 L3MBTL1 (0.53) MTNR1AMTNR1BALDH1A1SMN1; SMN2PPARG
SCHEMBL20954710 0.81 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1SMN1; SMN2PPARA
SCHEMBL20954694 0.81 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1SMN1; SMN2PPARA
SCHEMBL20954700 0.80 MTNR1A (0.58) MTNR1AMTNR1BALDH1A1POLBHTT
SCHEMBL29284729 0.80 LMNA (0.52) ALDH1A1LMNAHTTPTGER1SMPD1
SCHEMBL28085585 0.80 FFAR4 (0.49) FFAR4LMNAPTGER1SMPD1
SCHEMBL28085590 0.80 PTGER1 (0.52) ALDH1A1SMN1; SMN2PTGER1

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