SCHEMBL13286237

SCHEMBL13286237

CCN1CC[C@@H](C)[C@@H](CO)C1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 9/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
OPRM1 P35372 2/20 0.32
OPRK1 P41145 2/20 0.32
OPRL1 P41146 2/20 0.32
HSD11B1 P28845 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
SCHEMBL14071752 1.00 GBA1 (0.38) GBA1SMN1; SMN2OPRM1OPRK1OPRL1
SCHEMBL19087105 0.81 GBA1 (0.41) GBA1
SCHEMBL13286238 0.80 GBA1 (0.38) GBA1SMN1; SMN2OPRM1OPRK1OPRL1
SCHEMBL27391281 0.78 GBA1 (0.37) GBA1SMN1; SMN2OPRM1OPRK1OPRL1
SCHEMBL18542747 0.76 SMN1; SMN2 (0.39) GBA1SMN1; SMN2HSD11B1
SCHEMBL12938791 0.76 SMN1; SMN2 (0.39) GBA1SMN1; SMN2HSD11B1
SCHEMBL23475112 0.76 GBA1 (0.46) GBA1SMN1; SMN2
SCHEMBL25501186 0.76 GBA1 (0.46) GBA1SMN1; SMN2
SCHEMBL15691793 0.75 NCF1 (0.37) GBA1
SCHEMBL22648343 0.75 GBA1 (0.40) GBA1SMN1; SMN2HSD11B1

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
WO-2010084152-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2010-07-29 WO disclosed