SCHEMBL21766798

SCHEMBL21766798

C/C=C\C(=C/CC)NC(=O)CC

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL18950872 0.83 CRBN (0.31)
SCHEMBL21766710 0.75 MEN1 (0.32) MEN1KMT2ASMN1; SMN2
SCHEMBL18629944 0.75
SCHEMBL18483031 0.73 TAS2R38 (0.32)
SCHEMBL16229843 0.73
SCHEMBL13972727 0.72
SCHEMBL7709783 0.72 SMN1; SMN2 (0.35) MEN1KMT2ASMN1; SMN2
SCHEMBL18286973 0.71 ALDH1A1 (0.31)
SCHEMBL20198633 0.71 HDAC3 (0.43) MEN1KMT2ASMN1; SMN2
SCHEMBL19560661 0.69 MEN1 (0.37) MEN1KMT2ASMN1; SMN2

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-3402785-B1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-02-26 EP disclosed