Sugi Predict

Sugi Predict / Compounds / SCHEMBL3384399

SCHEMBL3384399

SCHEMBL3384399

COc1ccc(C[N+](C)(C)c2ccccc2)cc1.COc1ccc(C[N+](C)(C)c2ccccc2)cc1.COc1ccc(C[N+](C)(C)c2ccccc2)cc1.COc1ccc(C[N+](C)(C)c2ccccc2)cc1.COc1ccc(C[N+](C)(C)c2ccccc2)cc1.COc1ccc(C[N+](C)(C)c2ccccc2)cc1.COc1ccc(C[N+](C)(C)c2ccccc2)cc1.COc1ccc(C[N+](C)(C)c2ccccc2)cc1.COc1ccc(C[N+](C)(C)c2ccccc2)cc1.COc1ccc(C[N+](C)(C)c2ccccc2)cc1.COc1ccc(C[N+](C)(C)c2ccccc2)cc1.COc1ccc(C[N+](C)(C)c2ccccc2)cc1.O=[Sb]([O-])([O-])F.O=[Sb]([O-])([O-])F.O=[Sb]([O-])([O-])F.O=[Sb]([O-])([O-])F.O=[Sb]([O-])([O-])F.O=[Sb]([O-])([O-])F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.44
▸ ACHE P22303 4/20 0.43
▸ HTT P42858 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ PLAAT3 P53816 1/20 0.36
▸ PLAAT5 Q96KN8 1/20 0.36
▸ PLAAT2 Q9NWW9 1/20 0.36
▸ PLAAT4 Q9UL19 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LDHA P00338 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CA4 P22748 1/20 0.36

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
SCHEMBL565171 0.88 LTA4H (0.55) LTA4HACHEHTTSIGMAR1USP2
SCHEMBL2289588 0.86 LTA4H (0.58) LTA4HACHEHTTSIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL6277766 0.86 LTA4H (0.53) LTA4HACHEHTTSIGMAR1ALDH1A1
SCHEMBL23069371 0.85 LTA4H (0.49) LTA4HACHEHTTSIGMAR1ALDH1A1
SCHEMBL21747569 0.85 LTA4H (0.49) LTA4HACHEHTTSIGMAR1USP2
Fluoride Ion SCHEMBL4075058 0.85 LTA4H (0.52) LTA4HACHEHTTSIGMAR1USP2
Trifluoromethanesulfonic Acid SCHEMBL565735 0.82 HTT (0.43) LTA4HACHEHTTALDH1A1EGFR
SCHEMBL27121989 0.81 LTA4H (0.55) LTA4HACHEHTTSIGMAR1ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL1269460 0.80 ACHE (0.43) LTA4HACHEHTTEGFRERBB2
SCHEMBL21747544 0.78 LTA4H (0.41) LTA4HACHEHTTSIGMAR1NPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917316-B1 COATING MASS ALTANA ELEC INSULATION GMBH (DE) 2010-12-01 — — EP claimed
EP-1917316-A1 COATING MASS Altana Electrical Insulation Gmbh (DE) 2008-05-07 — — EP claimed
WO-2007023165-A1 COATING MASS ALTANA ELECTRICAL INSULATION GMBH (DE) 2007-03-01 — — WO claimed
EP-4003954-A1 TAPE ACCELERATOR AND USE THEREOF, SOLID INSULATING MATERIAL, AND ANHYDRIDE-FREE INSULATION SYSTEM Siemens Aktiengesellschaft (DE) 2022-06-01 — — EP disclosed
WO-2021043541-A1 TAPE ACCELERATOR AND USE THEREOF, SOLID INSULATING MATERIAL, AND ANHYDRIDE-FREE INSULATION SYSTEM SIEMENS AKTIENGESELLSCHAFT (DE) 2021-03-11 — — WO disclosed
EP-1917316-B1 COATING MASS ALTANA ELEC INSULATION GMBH (DE) 2010-12-01 — — EP disclosed
EP-1917316-A1 COATING MASS Altana Electrical Insulation Gmbh (DE) 2008-05-07 — — EP disclosed
WO-2007023165-A1 COATING MASS ALTANA ELECTRICAL INSULATION GMBH (DE) 2007-03-01 — — WO disclosed