SCHEMBL9863505

SCHEMBL9863505

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)NCCCN(C)C)OC

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.51

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
SCHEMBL9691792 0.95 EPHX1 (0.51) EPHX1
SCHEMBL9863521 0.88 DNM1 (0.52)
Hydrochloric Acid SCHEMBL9863422 0.88
SCHEMBL9863810 0.87 EPHX1 (0.56) EPHX1
SCHEMBL9863506 0.87
SCHEMBL9863501 0.87
SCHEMBL9863401 0.86
SCHEMBL9863519 0.85 GMNN (0.44)
Hydrochloric Acid SCHEMBL9863474 0.85
SCHEMBL9863459 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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