SCHEMBL6163381

SCHEMBL6163381

C[CH]C(=O)N(CCCCC)CCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA9 Q16790 3/20 0.45
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP8 P22894 1/20 0.42
MGLL Q99685 1/20 0.39
CES2 O00748 4/20 0.37
CES1 P23141 4/20 0.37
DNM1 Q05193 2/20 0.37
KDM5A P29375 4/20 0.37
KDM4C Q9H3R0 3/20 0.37
KDM5C P41229 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
PHF8 Q9UPP1 3/20 0.36
AKR1B1 P15121 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
SCHEMBL6165551 0.98 ZDHHC20 (0.50) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL6161691 0.98 ZDHHC20 (0.50) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL5147824 0.98 ZDHHC20 (0.50) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL6162337 0.98 ZDHHC20 (0.50) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL6164436 0.98 ZDHHC20 (0.50) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL2678050 0.93 CA12 (0.52) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL1517918 0.83 CA12 (0.48) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL9809132 0.82 ZDHHC20 (0.62) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL28889133 0.81 ZDHHC20 (0.53) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL1503291 0.80 ZDHHC20 (0.69) ZDHHC20ZDHHC2CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1055712-B1 Aqueous ink for ink jet recording MITSUI CHEMICALS INC (JP) 2005-02-16 EP disclosed
EP-1055712-A2 Aqueous ink for ink jet recording Mitsui Chemicals, Inc. (JP) 2000-11-29 EP disclosed
US-6147051-A ANTIISCHEMIC AGENT TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2000-11-14 US disclosed
EP-0499266-B1 Endothelin antagonist TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-07-10 EP 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
US-5352659-A Polypeptide; hypotensive agents TAKEDA CHEMICAL INDUSTRIES (JP) 1994-10-04 US disclosed
US-5306808-A Endothelin derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-26 US disclosed
EP-0547317-A1 Endothelin antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-23 EP disclosed
EP-0499266-A1 Endothelin antagonist TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-19 EP disclosed
EP-0470256-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF Takeda Chemical Industries, Ltd. (JP) 1992-02-12 EP disclosed
WO-1991013089-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-09-05 WO disclosed