SCHEMBL14724545

SCHEMBL14724545

COC(=O)C(C(=O)N(C)N)N(C)C(=O)c1ccc(/C=C/C#Cc2ccc(C=O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ ADRB2 P07550 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ ADRB3 P13945 1/20 0.32

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
SCHEMBL14714736 0.88 — —
SCHEMBL14714773 0.88 — —
SCHEMBL21094198 0.88 — —
SCHEMBL14714771 0.88 — —
SCHEMBL14714739 0.88 — —
SCHEMBL14724592 0.87 ALDH1A1 (0.34) ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL14714537 0.78 — —
SCHEMBL14714697 0.75 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL14714884 0.75 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL14714887 0.75 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2562155-A1 NOVEL HYDROXAMIC ACID DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-02-27 — — EP disclosed
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