SCHEMBL8207067

SCHEMBL8207067

Cc1ccc(C(=O)Oc2cccs2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
PKM P14618 2/20 0.56
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP12 P39900 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 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
SCHEMBL27346459 0.91 MMP1 (0.56) MAPTPKMNPC1RAB9AHPGD
SCHEMBL732742 0.84 MMP1 (0.53) MAPTPKMNPC1RAB9AHPGD
SCHEMBL27553236 0.83 MMP1 (0.49) MAPTPKMNPC1RAB9AHPGD
SCHEMBL30481362 0.83 MMP1 (0.49) MAPTPKMNPC1RAB9ASMN1; SMN2
SCHEMBL27816663 0.81 SMN1; SMN2 (0.53) MAPTPKMNPC1RAB9AHPGD
SCHEMBL28660859 0.79 MMP1 (0.49) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL29276385 0.77 MMP1 (0.57) MAPTPKMNPC1RAB9AHPGD
SCHEMBL21094067 0.75 MMP2 (0.43) MAPTPKMNPC1RAB9AHPGD
SCHEMBL27298549 0.75 PKM (0.57) MAPTPKMNPC1RAB9ASMN1; SMN2
SCHEMBL28667021 0.74 SRPK1 (0.51) MAPTNPC1RAB9AHPGDMMP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6147051-A ANTIISCHEMIC AGENT TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2000-11-14 US disclosed
EP-0552417-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-07 EP disclosed
US-5883075-A HYPOTENSIVE AGENT CYCLIC PEPTIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-16 US disclosed
EP-0528312-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-07-16 EP disclosed
US-5616684-A CYCLIC HEXAPEPTIDE CONTAINING ASPARTIC ACID AND DERIVATIVES, 2-THIENYLGLYCINE, LEUCINE, AND TRYPTOPHAN; ENDOTHELIN RECEPTOR ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-01 US disclosed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 EP disclosed
EP-0552417-A1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
EP-0528312-A2 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-24 EP disclosed