SCHEMBL21362770

SCHEMBL21362770

COCCNC(C)(C)CC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL10708238 0.79 DPP4 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL1222595 0.79
SCHEMBL20227891 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL15776729 0.76 CNR1 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL19008991 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1960586 0.74
SCHEMBL278613 0.74
SCHEMBL7831036 0.72 DPP4 (0.31)
SCHEMBL9286517 0.72 TDP1 (0.34)
SCHEMBL7292570 0.71

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-2019174277-A1 PHOSPHOETHANOLAMINE TRANSFERASE INHIBITORS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2019-09-19 WO disclosed