SCHEMBL6879765

SCHEMBL6879765

COCC1=CCC(C(=O)O)S1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 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
SCHEMBL14506903 0.80 ALDH1A1 (0.30)
SCHEMBL6876972 0.70
SCHEMBL6853625 0.66
SCHEMBL10709493 0.55 CES2 (0.52)
SCHEMBL27888965 0.55 CES2 (0.58)
SCHEMBL566413 0.54 NPC1 (0.62)
SCHEMBL5454978 0.54 BRD4 (0.47) HCAR2
SCHEMBL3313524 0.54 CA2 (0.61)
SCHEMBL28026974 0.53 GLRA1 (0.41) HCAR2
SCHEMBL13191515 0.52 HTT (0.47)

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-2011063501-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-03 WO disclosed
WO-2011063502-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-03 WO disclosed