SCHEMBL8749490

SCHEMBL8749490

CCCCC[C@H]1[C@H](CO)CC[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GLB1 P16278 3/20 0.44
GBA2 Q9HCG7 2/20 0.44
GBA1 P04062 11/20 0.42

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
SCHEMBL7115175 0.87 GLB1 (0.46) GLB1GBA2GBA1
SCHEMBL18853802 0.87 GLB1 (0.46) GLB1GBA2GBA1
SCHEMBL670536 0.87 GLB1 (0.46) GLB1GBA2GBA1
SCHEMBL20829025 0.85 GBA1 (0.47) GLB1GBA2GBA1
SCHEMBL22764802 0.85 CNR2 (0.39) GLB1GBA2GBA1
SCHEMBL9623388 0.84 LMNA (0.45) GLB1GBA2GBA1
SCHEMBL22814864 0.80 TBXA2R (0.37) GLB1GBA2GBA1
SCHEMBL1054958 0.79 ALOX5 (0.44)
SCHEMBL8674597 0.79 ALOX5 (0.44)
SCHEMBL8673306 0.79 ALOX5 (0.44)

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
EP-0585104-B1 A method of preparing a saturated monocyclic hydrocarbon compound and an intermediate therefor JAPAN TOBACCO INC (JP) 1997-03-19 EP disclosed
EP-0585104-A1 A method of preparing a saturated monocyclic hydrocarbon compound and an intermediate therefor Japan Tobacco Inc. (JP) 1994-03-02 EP disclosed