SCHEMBL21390263

SCHEMBL21390263

CC1(C)CCCCCNCCC1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
CXCR4 P61073 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL13770430 1.00 ALDH1A1 (0.50) ALDH1A1CXCR4SMN1; SMN2
SCHEMBL14789140 1.00 ALDH1A1 (0.50) ALDH1A1CXCR4SMN1; SMN2
SCHEMBL26460947 1.00 ALDH1A1 (0.50) ALDH1A1CXCR4SMN1; SMN2
SCHEMBL14037653 0.97 ALDH1A1 (0.53) ALDH1A1CXCR4SMN1; SMN2
SCHEMBL20284982 0.97 ALDH1A1 (0.44) ALDH1A1CXCR4SMN1; SMN2
SCHEMBL20333040 0.94 ALDH1A1 (0.47) ALDH1A1CXCR4SMN1; SMN2
SCHEMBL7745275 0.92 ALDH1A1 (0.47) ALDH1A1CXCR4SMN1; SMN2
SCHEMBL18898243 0.91 CXCR4 (0.41) ALDH1A1CXCR4SMN1; SMN2
SCHEMBL19889810 0.89 ALDH1A1 (0.42) ALDH1A1CXCR4SMN1; SMN2
SCHEMBL19840407 0.88 CXCR4 (0.47) ALDH1A1CXCR4SMN1; 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
WO-2019183589-A1 MODULATORS OF EUKARYOTIC INITIATION FACTOR 2 DENALI THERAPEUTICS INC. (US) 2019-09-26 WO disclosed