SCHEMBL9744477

SCHEMBL9744477

CCCCCCC[C@H]1CC[C@H](c2ccc(C#Cc3ccc4cc(CCC)ccc4c3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.43
SPHK2 Q9NRA0 7/20 0.39
BCHE P06276 1/20 0.38
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
S1PR3 Q99500 1/20 0.36
ASIC3 Q9UHC3 1/20 0.35

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
SCHEMBL9744483 1.00 SPHK1 (0.43) SPHK1SPHK2BCHEGAAMAPT
SCHEMBL9743921 1.00 SPHK1 (0.43) SPHK1SPHK2BCHEGAAMAPT
SCHEMBL9743104 1.00 SPHK1 (0.43) SPHK1SPHK2BCHEGAAMAPT
SCHEMBL9743112 1.00 SPHK1 (0.43) SPHK1SPHK2BCHEGAAMAPT
SCHEMBL9742812 1.00 SPHK1 (0.43) SPHK1SPHK2BCHEGAAMAPT
SCHEMBL9743928 1.00 SPHK1 (0.43) SPHK1SPHK2BCHEGAAMAPT
SCHEMBL9742805 1.00 SPHK1 (0.43) SPHK1SPHK2BCHEGAAMAPT
SCHEMBL9742951 0.99 SPHK1 (0.41) SPHK1SPHK2BCHECYP2C9ASIC3
SCHEMBL9742946 0.99 SPHK1 (0.41) SPHK1SPHK2BCHECYP2C9ASIC3
SCHEMBL9742584 0.96 SPHK1 (0.49) SPHK1SPHK2BCHEGAAMAPT

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