SCHEMBL7898115

SCHEMBL7898115

COC(=O)CC(C)(C)CCc1cc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.54
EP300 Q09472 4/20 0.47
KDM4E B2RXH2 3/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 1/20 0.37
CREBBP Q92793 1/20 0.37
MAPK14 Q16539 1/20 0.37
PTGS2 P35354 1/20 0.37
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL7763126 0.90 OPRD1 (0.52) OPRD1EP300KDM4EPKMHPGD
SCHEMBL7760695 0.77 OPRD1 (0.56) OPRD1EP300KDM4EPKMHPGD
SCHEMBL7902764 0.76 OPRD1 (0.54) OPRD1EP300KDM4EPKML3MBTL1
SCHEMBL7899189 0.75 OPRD1 (0.51) OPRD1EP300KDM4EHPGDL3MBTL1
SCHEMBL5599629 0.74 OPRD1 (0.53) OPRD1EP300KDM4EPKMHPGD
SCHEMBL7756777 0.74 OPRD1 (0.52) OPRD1EP300KDM4EPKML3MBTL1
SCHEMBL7760707 0.73 OPRD1 (0.50) OPRD1EP300KDM4EPKML3MBTL1
SCHEMBL7760717 0.73 OPRD1 (0.50) OPRD1EP300KDM4EPKMMAPK14
SCHEMBL678077 0.72 ALOX5 (0.56) OPRD1EP300KDM4EPKMMAPK14
SCHEMBL7760704 0.71 OPRD1 (0.49) OPRD1EP300KDM4EPKMHPGD

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
US-RE37078-E1 Thiophene compounds ADIR ET COMPAGNIE (FR) 2001-02-27 US disclosed
US-5705525-A ANTIINFLAMMATORY AGENTS AND TREATMENT OF RHEUMATIC DISEASES ADIR ET COMPAGNIE (FR) 1998-01-06 US disclosed