SCHEMBL30765823

SCHEMBL30765823

CC(N[S@+]([O-])C(C)(C)C)c1coc(-c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
ALDH1A1 P00352 2/20 0.35
ENPP3 O14638 2/20 0.35
ENPP1 P22413 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.32
DRD2 P14416 2/20 0.31
DRD4 P21917 2/20 0.31
DRD3 P35462 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE4B Q07343 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
SCHEMBL31558554 0.83 NOTUM (0.34) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL31558502 0.83 NOTUM (0.34) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL31558543 0.76 HSD11B1 (0.35) ENPP3ENPP1
SCHEMBL31558466 0.75 ALOX15 (0.40) HDAC1HDAC8HDAC6ALDH1A1SMN1; SMN2
SCHEMBL16088972 0.74 RAB9A (0.40) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL19034289 0.74 RAB9A (0.40) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14701593 0.73 ALDH1A1 (0.46) HDAC1HDAC8HDAC6ALDH1A1ENPP3
SCHEMBL30765890 0.71 PTGS2 (0.40) ALDH1A1MAPTHPGD
SCHEMBL29472427 0.71 PTGS2 (0.40) ALDH1A1MAPTHPGD
SCHEMBL28673711 0.71 PTGS2 (0.40) ALDH1A1MAPTHPGD

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-4568666-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Alexion Pharmaceuticals, Inc. (US) 2025-06-18 EP disclosed
WO-2024035686-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-15 WO disclosed