SCHEMBL28085688

SCHEMBL28085688

CCCCCc1ccc(OC(=O)CC)c(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.55
MTNR1B P49286 2/20 0.55
APP P05067 1/20 0.51
SMPD1 P17405 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
ALOX15 P16050 2/20 0.48
AKR1C3 P42330 3/20 0.47
PPARG P37231 3/20 0.47
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
PPARA Q07869 2/20 0.47
FFAR1 O14842 1/20 0.46

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
SCHEMBL28085736 0.86 ALOX15 (0.54) MTNR1AMTNR1BAPPSMPD1FFAR4
SCHEMBL15548395 0.86 ALOX15 (0.63) ALOX15PPARGPPARA
SCHEMBL15548455 0.84 ALOX15 (0.61) ALOX15PPARGPPARA
SCHEMBL15547878 0.84 ALOX15 (0.61) ALOX15PPARGPPARA
SCHEMBL15546557 0.84 ALOX15 (0.61) ALOX15PPARGPPARA
SCHEMBL15548211 0.84 ALOX15 (0.61) ALOX15PPARGPPARA
SCHEMBL15549321 0.84 ALOX15 (0.61) ALOX15PPARGPPARA
SCHEMBL15547399 0.84 ALOX15 (0.61) ALOX15PPARGPPARA
SCHEMBL15549411 0.81 ALOX15 (0.65) ALOX15PPARGPPARA
SCHEMBL3804975 0.80 NPC1 (0.54)

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