SCHEMBL29956517

SCHEMBL29956517

O=CCC1CC(=O)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.41
GLA P06280 1/20 0.38
CRBN Q96SW2 12/20 0.34
DDB1 Q16531 3/20 0.33
FFAR1 O14842 1/20 0.33
CYP19A1 P11511 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
NPC1 O15118 1/20 0.30

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
SCHEMBL288567 0.81 ALDH1A1 (0.44) MAP3K14GLACRBNDDB1FFAR1
SCHEMBL4351656 0.81 MAP3K14 (0.40) MAP3K14GLACRBNDDB1FFAR1
SCHEMBL29044524 0.79 ALDH1A1 (0.42) MAP3K14GLACRBNDDB1FFAR1
Ammonia Solution, Strong SCHEMBL27683456 0.79 ALDH1A1 (0.42) MAP3K14GLACRBNDDB1FFAR1
Methane SCHEMBL27514434 0.79 ALDH1A1 (0.42) MAP3K14GLACRBNDDB1FFAR1
SCHEMBL28479332 0.79 MAP3K14 (0.50) MAP3K14GLACRBNDDB1FFAR1
SCHEMBL5570558 0.78 MAP3K14 (0.38) MAP3K14GLACRBNDDB1FFAR1
SCHEMBL4418873 0.78 MAP3K14 (0.38) MAP3K14GLACRBNDDB1FFAR1
SCHEMBL9052247 0.78 GLA (0.39) MAP3K14GLACRBNDDB1FFAR1
SCHEMBL17907172 0.77 MAP3K14 (0.48) MAP3K14GLACRBNDDB1FFAR1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed