SCHEMBL9469863

SCHEMBL9469863

CC(C)C(=O)N(C)C(C)[C]=O

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38

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
SCHEMBL9469864 1.00 DPP4 (0.38) DPP4
SCHEMBL7742934 0.81 DPP4 (0.44) DPP4
SCHEMBL2921409 0.77
SCHEMBL2267011 0.77
SCHEMBL2268664 0.77
SCHEMBL4157626 0.73 MLYCD (0.31) DPP4
SCHEMBL2922032 0.71 CHRM2 (0.38) DPP4
SCHEMBL2922028 0.71 CHRM2 (0.38) DPP4
SCHEMBL9469289 0.71 ACACB (0.36)
SCHEMBL9469290 0.71 ACACB (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5217713-A Anticancer agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-08 US disclosed
US-5141736-A Complexed with ansamitocin TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-25 US disclosed
US-4371533-A ANTITUMOR, ANTIPROTOZOA AND ANTIFUNGAL AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-02-01 US disclosed
EP-0049528-A1 4,5-Deoxymaytansinoids, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-04-14 EP disclosed