SCHEMBL9693601

SCHEMBL9693601

CCCCCCCCCCCCCCCCCCNC(=O)OCC(CNC(=O)NCc1ccccn1)OC

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL9693316 0.91 HPGD (0.48) HPGDHSD17B10
SCHEMBL9693797 0.84
SCHEMBL9693970 0.84 HPGD (0.50) HPGDHSD17B10
SCHEMBL9693792 0.83
SCHEMBL9124908 0.81 HPGD (0.46) HPGDHSD17B10
SCHEMBL9121939 0.81 SMN1; SMN2 (0.46) HPGDHSD17B10
SCHEMBL9120514 0.80 SMN1; SMN2 (0.41)
SCHEMBL9695155 0.79 HPGD (0.56) HPGDHSD17B10
SCHEMBL9694059 0.79 HPGD (0.56) HPGDHSD17B10
SCHEMBL9691525 0.79 HPGD (0.56) HPGDHSD17B10

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 3 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
US-4737518-A ANTIALLERGENS, ANTINEOPLASTICS, ANTICOAGULANTS, CIRCULATORY DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-04-12 US disclosed