SCHEMBL30726161

SCHEMBL30726161

CC(C)c1c(O)cc(-c2ccc3cc(F)ccc3n2)cc1OP(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ INPPL1 O15357 2/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ AMY1A P0DUB6 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAP4K4 O95819 2/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ PDK1 Q15118 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MIF P14174 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
SCHEMBL27033294 1.00 MAOB (0.33) MAOBESR1ESR2INPPL1BACE1
SCHEMBL27033332 0.93 MAOB (0.35) MAOBESR1ESR2INPPL1BACE1
SCHEMBL25520053 0.84 ESR1 (0.43) MAOBESR1ESR2BACE1MAPT
SCHEMBL27033314 0.83 MAPT (0.34) MAOBESR1ESR2BACE1MAPT
SCHEMBL31538921 0.83 MAPT (0.34) MAOBESR1ESR2BACE1MAPT
SCHEMBL25522215 0.81 ESR1 (0.40) MAOBESR1ESR2BACE1MAPT
SCHEMBL27033331 0.76 MAPT (0.36) MAOBESR1ESR2BACE1MAPT
SCHEMBL27033287 0.74 MAP4K4 (0.41) MAP4K4
SCHEMBL27033328 0.73 NPC1 (0.41) INPPL1MIF
SCHEMBL25521798 0.72 MAOB (0.41) MAOBESR1ESR2BACE1MAPT

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 4 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
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