SCHEMBL30765841

SCHEMBL30765841

CC(C)C(N[S@+]([O-])C(C)(C)C)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.40
MMP13 P45452 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
NPY5R Q15761 1/20 0.35
GAA P10253 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
AHR P35869 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
TNKS O95271 1/20 0.33

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
SCHEMBL31558501 1.00 MMP12 (0.40) MMP12MMP13SMN1; SMN2NPC1RAB9A
SCHEMBL30765876 0.87 SMN1; SMN2 (0.39) MMP12MMP13SMN1; SMN2NPC1RAB9A
SCHEMBL30765967 0.81 HSP90AA1 (0.35) MMP12MMP13SMN1; SMN2NPC1RAB9A
SCHEMBL31558591 0.80 MEN1 (0.41) MMP12MMP13SMN1; SMN2NPC1RAB9A
SCHEMBL31558514 0.80 MEN1 (0.41) MMP12MMP13SMN1; SMN2NPC1RAB9A
SCHEMBL22787856 0.72 MAPT (0.50) MMP12MMP13SMN1; SMN2NPC1RAB9A
SCHEMBL16169025 0.72 CHRNA1 (0.33)
SCHEMBL1102393 0.71 MEN1 (0.53) MMP12MMP13SMN1; SMN2NPC1RAB9A
SCHEMBL16168996 0.70 HDAC4 (0.36)
SCHEMBL15238318 0.70 CYP1A2 (0.46) SMN1; SMN2NPC1RAB9AMAPTMEN1

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