SCHEMBL18669396

SCHEMBL18669396

CCCCCC=CCC=CCCCCCCCCOCCC(OCCCCCC)N(C)C

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51

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
SCHEMBL30677779 1.00 ALDH1A1 (0.51) ALDH1A1CNR1CNR2
SCHEMBL23647304 1.00 ALDH1A1 (0.51) ALDH1A1CNR1CNR2
SCHEMBL15754779 1.00 ALDH1A1 (0.51) ALDH1A1CNR1CNR2
SCHEMBL19742389 1.00 ALDH1A1 (0.51) ALDH1A1CNR1CNR2
SCHEMBL18669395 0.96 ALDH1A1 (0.44) ALDH1A1CNR1CNR2
SCHEMBL22638684 0.96 ALDH1A1 (0.44) ALDH1A1CNR1CNR2
SCHEMBL28605474 0.96 ALDH1A1 (0.44) ALDH1A1CNR1CNR2
SCHEMBL18669952 0.87 CNR1 (0.40) ALDH1A1CNR1CNR2
SCHEMBL31213151 0.85 ALDH1A1 (0.56) ALDH1A1CNR1CNR2
SCHEMBL18954218 0.85 ALDH1A1 (0.56) ALDH1A1CNR1CNR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017136652-A1 STAPLED PEPTIDE CONJUGATES AND PARTICLES TARVEDA THERAPEUTICS, INC. (US) 2017-08-10 WO disclosed
WO-2017053720-A1 RNAi CONJUGATES, PARTICLES AND FORMULATIONS THEREOF TARVEDA THERAPEUTICS, INC. (US) 2017-03-30 WO disclosed