SCHEMBL8903045

SCHEMBL8903045

CCCCC[C@@H]1OC1CO

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.41
GBA1 P04062 7/20 0.41
SPHK2 Q9NRA0 3/20 0.40
SPHK1 Q9NYA1 3/20 0.40

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
SCHEMBL7034989 1.00 PRKCA (0.41) PRKCAGBA1SPHK2SPHK1
SCHEMBL8903050 1.00 PRKCA (0.41) PRKCAGBA1SPHK2SPHK1
SCHEMBL51075 1.00 PRKCA (0.41) PRKCAGBA1SPHK2SPHK1
SCHEMBL8990176 0.98 PRKCA (0.44) PRKCAGBA1SPHK2SPHK1
SCHEMBL7344383 0.98 PRKCA (0.44) PRKCAGBA1SPHK2SPHK1
SCHEMBL8915089 0.98 PRKCA (0.44) PRKCAGBA1SPHK2SPHK1
SCHEMBL4980804 0.98 PRKCA (0.44) PRKCAGBA1SPHK2SPHK1
SCHEMBL7344379 0.98 PRKCA (0.44) PRKCAGBA1SPHK2SPHK1
SCHEMBL7348308 0.98 PRKCA (0.44) PRKCAGBA1SPHK2SPHK1
SCHEMBL7343605 0.98 PRKCA (0.44) PRKCAGBA1SPHK2SPHK1

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-5630962-A 2-Fluoropyridines, their preparation and their use in liquid crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-20 US disclosed