SCHEMBL11080432

SCHEMBL11080432

CC(C)OC(=O)C1(CCCCOCC2CCCC2)CO1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.36
ABCB11 O95342 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
SPHK2 Q9NRA0 4/20 0.33

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
SCHEMBL11073931 0.97 SPHK1 (0.39) SPHK1ABCB11LMNAMAPTMAPK1
SCHEMBL11078904 0.91 SLC1A3 (0.34) SPHK1SPHK2
SCHEMBL11078190 0.88 ABCB11 (0.34) ABCB11LMNAMAPTMAPK1
SCHEMBL11068024 0.85 NAAA (0.34) ABCB11LMNAMAPTMAPK1
SCHEMBL11074120 0.84 NAAA (0.37)
SCHEMBL11076967 0.83 NAAA (0.36) ABCB11
SCHEMBL11070066 0.83 SPHK1 (0.44) SPHK1ABCB11LMNAMAPTMAPK1
SCHEMBL11069034 0.82 ABCB11 (0.54) SPHK1ABCB11LMNAMAPTMAPK1
SCHEMBL11071353 0.82 ABCB11 (0.38) ABCB11LMNAMAPTMAPK1
SCHEMBL11076113 0.82 ABCB11 (0.34) ABCB11LMNAMAPTMAPK1

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
US-4430339-A PROPHYLAXIS, METABOLISM, GLUCOSE, FATS, HYPOGLYCEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-02-07 US disclosed
WO-1982000822-A1 SUBSTITUTED OXIRANECARBOXYLIC ACIDS,THEIR PREPARATION AND THEIR USE AS MEDICAMENTS EISTETTER K 1982-03-18 WO disclosed