SCHEMBL24135883

SCHEMBL24135883

NC(=O)NCCCCC(NC=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 1/20 0.41
▸ FOLH1 Q04609 11/20 0.40
▸ NOD1 Q9Y239 2/20 0.36
▸ DDAH1 O94760 1/20 0.35
▸ SHMT1 P34896 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL6150091 0.87 FOLH1 (0.38) FOLH1NOD1DDAH1SMN1; SMN2
SCHEMBL29334247 0.84 NOD1 (0.39) FOLH1NOD1
SCHEMBL17553002 0.82 DDAH1 (0.37) C3AR1FOLH1NOD1DDAH1SMN1; SMN2
SCHEMBL27494369 0.82 DDAH1 (0.37) C3AR1FOLH1NOD1DDAH1SMN1; SMN2
SCHEMBL12461742 0.81 FOLH1 (0.50) C3AR1FOLH1NOD1SHMT1SMN1; SMN2
SCHEMBL8071296 0.81 FOLH1 (0.50) C3AR1FOLH1NOD1SHMT1SMN1; SMN2
SCHEMBL25342849 0.81 C3AR1 (0.47) C3AR1FOLH1NOD1SHMT1SMN1; SMN2
SCHEMBL25548901 0.81 MEN1 (0.53) FOLH1NOD1
SCHEMBL21534451 0.80 C3AR1 (0.36) C3AR1FOLH1DDAH1SHMT1CTDSP1
SCHEMBL25356845 0.79 FOLH1 (0.45) C3AR1FOLH1NOD1SMN1; SMN2CTDSP1

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-3929177-A1 METHOD FOR THE PREPARATION OF DIISOCYANATES BASED ON LYSIN Evonik Operations GmbH (DE) 2021-12-29 — — EP disclosed
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