SCHEMBL28609239

SCHEMBL28609239

C=CCC(O)(CC=C)[C@@H](CO)CC(C)(C)NC(=O)O

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL29099311 0.88 MEN1 (0.33) MEN1KMT2ASMN1; SMN2
SCHEMBL28590148 0.82
SCHEMBL28597589 0.81
SCHEMBL28591507 0.79
SCHEMBL233302 0.74 KMT2A (0.38) MEN1KMT2ASMN1; SMN2
SCHEMBL29059253 0.71 CYP2D6 (0.32)
SCHEMBL15562350 0.71 CYP2D6 (0.32)
SCHEMBL29130087 0.71 CYP2D6 (0.32)
SCHEMBL28986536 0.71
SCHEMBL29050625 0.66 ALDH1A1 (0.32)

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
CN-113166143-A N-1 branched alkyl ether substituted imidazo [4,5-c ] quinoline compounds, compositions, and methods 3M创新有限公司 2021-07-23 CN disclosed