SCHEMBL21035308

SCHEMBL21035308

[O-][S+](Cl)c1ccc(OCC2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.51
PARP15 Q460N3 6/20 0.51
PARP2 Q9UGN5 2/20 0.45
GRM2 Q14416 3/20 0.45
HPGD P15428 3/20 0.44
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
FFAR1 O14842 1/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL4186691 0.78 PARP15 (0.58) PARP10PARP15PARP2GRM2HPGD
SCHEMBL20325460 0.74 PARP10 (0.55) PARP10PARP15PARP2GRM2HPGD
SCHEMBL21578972 0.74 PARP10 (0.63) PARP10PARP15PARP2GRM2HPGD
SCHEMBL3726896 0.74 PARP10 (0.63) PARP10PARP15PARP2GRM2HPGD
SCHEMBL2657957 0.74 NFE2L2 (0.69) PARP10PARP15PARP2GRM2HPGD
SCHEMBL21579020 0.74 PARP10 (0.58) PARP10PARP15PARP2GRM2HPGD
SCHEMBL81903 0.74 PARP15 (0.58) PARP10PARP15PARP2GRM2HPGD
SCHEMBL21579077 0.74 PARP10 (0.58) PARP10PARP15PARP2GRM2HPGD
SCHEMBL385757 0.74 PARP10 (0.58) PARP10PARP15PARP2GRM2HPGD
SCHEMBL11125481 0.74 PARP10 (0.58) PARP10PARP15PARP2GRM2HPGD

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-2019104011-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2019-05-31 WO disclosed