SCHEMBL10898613

SCHEMBL10898613

CCCCCCCCCCCCCCCCCCNC(=O)OCCO

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.86
EPHX1 P07099 1/20 0.63
EPHX2 P34913 2/20 0.56
NAAA Q02083 1/20 0.55

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
SCHEMBL10579744 1.00 ACHE (0.86) ACHEEPHX1EPHX2NAAA
SCHEMBL18674258 1.00 ACHE (0.86) ACHEEPHX1EPHX2NAAA
SCHEMBL3440757 1.00 ACHE (0.86) ACHEEPHX1EPHX2NAAA
SCHEMBL8017593 0.98 ACHE (0.89) ACHEEPHX1EPHX2
SCHEMBL4665159 0.92 ACHE (1.00) ACHEEPHX1
SCHEMBL10901944 0.91 ACHE (0.81) ACHEEPHX1EPHX2
SCHEMBL10901420 0.91 ACHE (0.81) ACHEEPHX1EPHX2
SCHEMBL9693989 0.91 ACHE (0.81) ACHEEPHX1EPHX2
SCHEMBL10897404 0.91 ACHE (0.81) ACHEEPHX1EPHX2
SCHEMBL10901511 0.91 ACHE (0.81) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4565865-A ANTITUMOR AGENTS, MICROBIOCIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-01-21 US disclosed
US-4408052-A FUNGICIDES AND ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-10-04 US disclosed
EP-0035375-B1 CARBAMIC ACID ESTERS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1983-08-10 EP disclosed
EP-0035375-A1 Carbamic acid esters, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-09-09 EP disclosed