SCHEMBL6852484

SCHEMBL6852484

CCCCO[C@@H]1C[C@H](OCCCC)[C@@H](OCCCC)[C@H](OCCCC)C1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 6/20 0.44
PPP5C P53041 1/20 0.38
EPHX2 P34913 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31

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
SCHEMBL10692609 0.80 GBA1 (0.46) GBA1EPHX2
SCHEMBL6361896 0.79 GBA1 (0.39) GBA1PPP5CSMN1; SMN2ADRB2ADRB1
SCHEMBL15470821 0.79 GBA1 (0.48) GBA1PPP5CEPHX2
SCHEMBL14210158 0.77 GBA1 (0.53) GBA1PPP5CEPHX2
SCHEMBL14538764 0.76 GBA1 (0.37) GBA1PPP5CSMN1; SMN2
SCHEMBL9033090 0.76 GBA1 (0.37) GBA1PPP5CSMN1; SMN2
SCHEMBL6852785 0.76 PPP5C (0.54) GBA1PPP5CSMN1; SMN2
SCHEMBL19549635 0.76 GBA1 (0.46) GBA1
SCHEMBL19549582 0.76 GBA1 (0.46) GBA1PPP5CEPHX2
SCHEMBL533902 0.76 GBA1 (0.50) GBA1PPP5C

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-2011073492-A1 DERIVATIVES OF AMINOCYCLITOLS, OBTAINMENT PROCEDURE AND USES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2011-06-23 WO disclosed