SCHEMBL6506401

SCHEMBL6506401

CCOC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.55
FUCA1 P04066 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.51
ATM Q13315 1/20 0.51
ALDH1A1 P00352 2/20 0.50
GBA1 P04062 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
CCR8 P51685 1/20 0.47
KDM4E B2RXH2 2/20 0.46
S1PR5 Q9H228 2/20 0.46
S1PR1 P21453 1/20 0.46

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
SCHEMBL6506033 1.00 USP30 (0.55) USP30FUCA1L3MBTL1ATMALDH1A1
SCHEMBL13606446 1.00 USP30 (0.55) USP30FUCA1L3MBTL1ATMALDH1A1
SCHEMBL1055082 0.92 USP30 (0.62) USP30FUCA1L3MBTL1ATMALDH1A1
SCHEMBL853539 0.92 USP30 (0.62) USP30FUCA1L3MBTL1ATMALDH1A1
SCHEMBL13177349 0.92 USP30 (0.62) USP30FUCA1L3MBTL1ATMALDH1A1
SCHEMBL14037432 0.92 USP30 (0.62) USP30FUCA1L3MBTL1ATMALDH1A1
SCHEMBL853540 0.92 USP30 (0.62) USP30FUCA1L3MBTL1ATMALDH1A1
SCHEMBL15312509 0.90 USP30 (0.51) USP30FUCA1L3MBTL1ATMALDH1A1
SCHEMBL4862883 0.88 L3MBTL1 (0.57) L3MBTL1ATMALDH1A1CCR8KDM4E
SCHEMBL21593409 0.88 L3MBTL1 (0.57) USP30L3MBTL1ATMALDH1A1CCR8

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-2005033076-A1 METHOD FOR PREPARING 3-HYDROXY-4-HYDROXYMETHYL-PYRROLIDINE COMPOUNDS INDUSTRIAL RESEARCH LIMITED (NZ) 2005-04-14 WO disclosed