SCHEMBL7303667

SCHEMBL7303667

[CH2]COCCOCC1CCC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 4/20 0.35
SPHK1 Q9NYA1 4/20 0.35
NAAA Q02083 1/20 0.33
GBA1 P04062 2/20 0.31
UGCG Q16739 2/20 0.31
GBA2 Q9HCG7 2/20 0.31
TSHR P16473 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
SCHEMBL5168 0.87
SCHEMBL7298656 0.84 NAAA (0.33) SPHK2SPHK1NAAAGBA1UGCG
SCHEMBL129491 0.83
SCHEMBL446801 0.82
SCHEMBL131976 0.81 SPHK1 (0.35) SPHK2SPHK1GBA1UGCGGBA2
SCHEMBL5230 0.80 SPHK2 (0.37) SPHK2SPHK1NAAAGBA1UGCG
SCHEMBL5386 0.80 SPHK2 (0.37) SPHK2SPHK1NAAAGBA1UGCG
SCHEMBL4978 0.80 SPHK2 (0.37) SPHK2SPHK1NAAAGBA1UGCG
SCHEMBL126800 0.79 TSHR (0.38) SPHK2SPHK1GBA1UGCGGBA2
SCHEMBL131035 0.77 SPHK1 (0.40) SPHK2SPHK1GBA1UGCGGBA2

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
EP-0400519-A1 2-Hydroxy-n-propylamines, medicaments containing these compounds and method for preparing them Dr. Karl Thomae GmbH (DE) 1990-12-05 EP disclosed