SCHEMBL3720689

SCHEMBL3720689

O=CCOCCOC1CCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
HPGD P15428 2/20 0.35
NAAA Q02083 1/20 0.31

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
SCHEMBL10737283 0.98 NPC1 (0.41) NPC1HPGDNAAA
SCHEMBL1131773 0.81 NPC1 (0.40) NPC1
SCHEMBL29957214 0.81 NPC1 (0.40) NPC1
SCHEMBL19124722 0.80 NPC1 (0.42) NPC1HPGD
SCHEMBL25512525 0.79 SLC6A2 (0.30)
SCHEMBL8598726 0.78
SCHEMBL10357183 0.78 NPC1 (0.61) NPC1HPGDNAAA
SCHEMBL6377426 0.78 NPC1 (0.61) NPC1HPGDNAAA
SCHEMBL6376493 0.78 NPC1 (0.61) NPC1HPGDNAAA
SCHEMBL6383859 0.78 NPC1 (0.61) NPC1HPGDNAAA

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-2010141173-A1 TERPOLYMERS CONTAINING LACTIDE AND GLYCOLIDE ABBOTT CARDIOVASCULAR SYSTEMS INC. (US) 2010-12-09 WO disclosed