SCHEMBL27033331

SCHEMBL27033331

CC(C)c1c(OS(=O)(=O)O)cc(-c2ccc3cc(F)ccc3n2)cc1OS(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.36
▸ MAOB P27338 3/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ DHODH Q02127 3/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ PLA2G2A P14555 1/20 0.31
▸ AMY1A P0DUB6 1/20 0.31

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
SCHEMBL31538921 0.93 MAPT (0.34) MAPTMAOBBACE1ESR1ESR2
SCHEMBL27033314 0.93 MAPT (0.34) MAPTMAOBBACE1ESR1ESR2
SCHEMBL27033332 0.81 MAOB (0.35) MAPTMAOBBACE1ESR1ESR2
SCHEMBL25520053 0.77 ESR1 (0.43) MAPTMAOBBACE1ESR1ESR2
SCHEMBL27033294 0.76 MAOB (0.33) MAPTMAOBBACE1ESR1ESR2
SCHEMBL30726161 0.76 MAOB (0.33) MAPTMAOBBACE1ESR1ESR2
SCHEMBL25522215 0.74 ESR1 (0.40) MAPTMAOBBACE1ESR1ESR2
SCHEMBL27033260 0.71 CA12 (0.46) MAP4K4
SCHEMBL13399631 0.68 BACE1 (0.49) MAPTMAOBBACE1ESR1ESR2
SCHEMBL25521798 0.68 MAOB (0.41) MAPTMAOBBACE1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119894865-A Aryl hydrocarbon receptor agonist prodrugs and methods of use thereof 元启(苏州)生物制药有限公司 2025-04-25 — — CN claimed
EP-4558478-A1 ARYL HYDROCARBON RECEPTOR AGONIST PRODRUGS AND METHODS OF USE THEREOF Allianthera (Suzhou) Biopharmaceutical Co., Ltd. (CN) 2025-05-28 — — EP disclosed
CN-119894865-A Aryl hydrocarbon receptor agonist prodrugs and methods of use thereof 元启(苏州)生物制药有限公司 2025-04-25 — — CN disclosed
WO-2024020170-A1 ARYL HYDROCARBON RECEPTOR AGONIST PRODRUGS AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2024-01-25 — — WO disclosed
WO-2024020170-A1 ARYL HYDROCARBON RECEPTOR AGONIST PRODRUGS AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2024-01-25 — — WO disclosed
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