SCHEMBL9693989

SCHEMBL9693989

CCCCCCCCCCCCCCCCCCNC(=O)OCCCO

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.81
EPHX1 P07099 2/20 0.61
EPHX2 P34913 2/20 0.58

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
SCHEMBL10897404 1.00 ACHE (0.81) ACHEEPHX1EPHX2
SCHEMBL10901420 1.00 ACHE (0.81) ACHEEPHX1EPHX2
SCHEMBL10901944 1.00 ACHE (0.81) ACHEEPHX1EPHX2
SCHEMBL10901511 1.00 ACHE (0.81) ACHEEPHX1EPHX2
SCHEMBL27051136 0.95 ACHE (0.90) ACHEEPHX1EPHX2
SCHEMBL27051138 0.95 ACHE (0.90) ACHEEPHX1EPHX2
SCHEMBL14891267 0.95 ACHE (0.90) ACHEEPHX1EPHX2
SCHEMBL4734720 0.93 ACHE (0.87) ACHEEPHX1EPHX2
SCHEMBL6984631 0.93 ACHE (0.87) ACHEEPHX1EPHX2
SCHEMBL10724300 0.93 ACHE (0.87) ACHEEPHX1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0157609-B1 LIPID DERIVATIVES THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-10-14 EP disclosed
US-5025005-A Preventive or therapeutic agents for circulatory diseases, allergic disorders; antineoplastic agent; inhibitor for platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-06-18 US disclosed
EP-0321296-A1 Lipid derivatives their preparation and use SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1989-06-21 EP disclosed
US-4737518-A ANTIALLERGENS, ANTINEOPLASTICS, ANTICOAGULANTS, CIRCULATORY DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-04-12 US disclosed
EP-0157609-A2 Lipid derivatives their production and use Takeda Chemical Industries, Ltd. (JP) 1985-10-09 EP disclosed