SCHEMBL6163635

SCHEMBL6163635

C[CH]C(=O)NCCCCC

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 3/20 0.64
ZDHHC2 Q9UIJ5 3/20 0.64
EPHX1 P07099 9/20 0.58
CASP2 P42575 1/20 0.52
EGFR P00533 1/20 0.49
NAAA Q02083 1/20 0.48
DPP7 Q9UHL4 1/20 0.46
APP P05067 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL11481896 0.98 ZDHHC20 (0.68) ZDHHC20ZDHHC2EPHX1CASP2EGFR
SCHEMBL6162875 0.98 ZDHHC20 (0.68) ZDHHC20ZDHHC2EPHX1CASP2EGFR
SCHEMBL6164190 0.98 ZDHHC20 (0.68) ZDHHC20ZDHHC2EPHX1CASP2EGFR
SCHEMBL6161573 0.98 ZDHHC20 (0.68) ZDHHC20ZDHHC2EPHX1CASP2EGFR
SCHEMBL6164916 0.98 ZDHHC20 (0.68) ZDHHC20ZDHHC2EPHX1CASP2EGFR
SCHEMBL6163158 0.98 ZDHHC20 (0.68) ZDHHC20ZDHHC2EPHX1CASP2EGFR
SCHEMBL486681 0.93
SCHEMBL1000823 0.83
SCHEMBL7532607 0.83 ZDHHC20 (0.60) ZDHHC20ZDHHC2EPHX1CASP2EGFR
SCHEMBL7532604 0.83 ZDHHC20 (0.60) ZDHHC20ZDHHC2EPHX1CASP2EGFR

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 13 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-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 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