SCHEMBL7763126

SCHEMBL7763126

COc1ccc(-c2cc(CCC(C)(C)CC(=O)O)sc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.52
EP300 Q09472 2/20 0.46
GFER P55789 1/20 0.41
PTPN1 P18031 1/20 0.41
PTGS2 P35354 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 2/20 0.38
SLC13A5 Q86YT5 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
PPARD Q03181 2/20 0.37
BACE1 P56817 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL7898115 0.90 OPRD1 (0.54) OPRD1EP300PTPN1PTGS2ALDH1A1
SCHEMBL7760695 0.83 OPRD1 (0.56) OPRD1EP300PTPN1PTGS2SMN1; SMN2
SCHEMBL7902764 0.77 OPRD1 (0.54) OPRD1EP300PTPN1PTGS2SMN1; SMN2
SCHEMBL7756777 0.75 OPRD1 (0.52) OPRD1EP300PTPN1PTGS2SMN1; SMN2
SCHEMBL11203493 0.74 FFAR1 (0.51) SMN1; SMN2SLC13A5
SCHEMBL7899189 0.74 OPRD1 (0.51) OPRD1EP300PTPN1SMN1; SMN2ALDH1A1
SCHEMBL7760707 0.74 OPRD1 (0.50) OPRD1EP300PTGS2KDM4EPKM
SCHEMBL7760717 0.74 OPRD1 (0.50) OPRD1EP300PTPN1PTGS2SMN1; SMN2
SCHEMBL678077 0.73 ALOX5 (0.56) OPRD1EP300PTPN1PTGS2SMN1; SMN2
SCHEMBL5599629 0.73 OPRD1 (0.53) OPRD1EP300SMN1; SMN2ALDH1A1MAPT

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
EP-0728755-B1 Thiophene compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-04-11 EP disclosed
EP-0728755-A1 Thiophene compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-08-28 EP disclosed