SCHEMBL7760717

SCHEMBL7760717

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.50
EP300 Q09472 2/20 0.49
PTGS2 P35354 3/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK14 Q16539 1/20 0.37
APP P05067 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
ABL1 P00519 1/20 0.36
ABCB1 P08183 1/20 0.36
BCR P11274 1/20 0.36
PTPN1 P18031 1/20 0.36
BACE1 P56817 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL7760707 0.81 OPRD1 (0.50) OPRD1EP300PTGS2MEN1KMT2A
SCHEMBL7760695 0.80 OPRD1 (0.56) OPRD1EP300PTGS2MEN1KMT2A
SCHEMBL7902764 0.78 OPRD1 (0.54) OPRD1EP300PTGS2MAPK14KDM4E
SCHEMBL7756777 0.76 OPRD1 (0.52) OPRD1EP300PTGS2KDM4EPKM
SCHEMBL7899189 0.76 OPRD1 (0.51) OPRD1EP300MEN1KMT2AMAPK14
SCHEMBL5599629 0.75 OPRD1 (0.53) OPRD1EP300MEN1KMT2AMAPK14
SCHEMBL678077 0.75 ALOX5 (0.56) OPRD1EP300PTGS2MAPK14KDM4E
Hydrochloric Acid SCHEMBL8985552 0.74 OPRD1 (0.49) OPRD1EP300PTGS2MEN1KMT2A
SCHEMBL7760704 0.74 OPRD1 (0.49) OPRD1EP300MEN1KMT2AKDM4E
SCHEMBL7763126 0.74 OPRD1 (0.52) OPRD1EP300PTGS2MEN1KMT2A

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