SCHEMBL9745173

SCHEMBL9745173

CCCCCc1ccc2cc(C#Cc3ccc([C@H]4CC[C@H](CCCCC)CC4)cc3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.47
SPHK2 Q9NRA0 7/20 0.42
BCHE P06276 1/20 0.41
ASIC3 Q9UHC3 1/20 0.36

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
SCHEMBL9745180 1.00 SPHK1 (0.47) SPHK1SPHK2BCHEASIC3
SCHEMBL9745127 0.99 SPHK1 (0.49) SPHK1SPHK2BCHE
SCHEMBL9742584 0.99 SPHK1 (0.49) SPHK1SPHK2BCHE
SCHEMBL9742074 0.99 SPHK1 (0.49) SPHK1SPHK2BCHE
SCHEMBL9742900 0.99 SPHK1 (0.49) SPHK1SPHK2BCHE
SCHEMBL9745291 0.99 SPHK1 (0.49) SPHK1SPHK2BCHE
SCHEMBL9744409 0.99 SPHK1 (0.49) SPHK1SPHK2BCHE
SCHEMBL9741986 0.99 SPHK1 (0.49) SPHK1SPHK2BCHE
SCHEMBL9743910 0.99 SPHK1 (0.49) SPHK1SPHK2BCHE
SCHEMBL9742601 0.99 SPHK1 (0.49) SPHK1SPHK2BCHE

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
US-5084204-A Naphthylacetylenes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-01-28 US disclosed