SCHEMBL27033328

SCHEMBL27033328

CC(C)c1c(O)cc(-c2cc3ccccc3cn2)cc1OP(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ IDO1 P14902 4/20 0.35
▸ TDO2 P48775 4/20 0.35
▸ GPR84 Q9NQS5 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ MIF P14174 1/20 0.33
▸ INPPL1 O15357 2/20 0.33
▸ BTK Q06187 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32

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
SCHEMBL30365932 0.83 NPC1 (0.50) NPC1RAB9AIDO1TDO2TDP1
SCHEMBL24204595 0.83 NPC1 (0.50) NPC1RAB9AIDO1TDO2TDP1
SCHEMBL27033433 0.82 NPC1 (0.41) NPC1RAB9AIDO1TDO2TDP1
SCHEMBL27033287 0.81 MAP4K4 (0.41) NPC1RAB9ANOTUM
SCHEMBL26874136 0.80 NPC1 (0.44) NPC1RAB9AIDO1TDO2TDP1
SCHEMBL29493154 0.79 RAB9A (0.39) NPC1RAB9AIDO1TDO2TDP1
SCHEMBL30389777 0.79 NPC1 (0.40) NPC1RAB9AIDO1TDO2TDP1
SCHEMBL24204592 0.79 NPC1 (0.40) NPC1RAB9AIDO1TDO2TDP1
SCHEMBL31010848 0.78 NPC1 (0.46) NPC1RAB9AIDO1TDO2TDP1
SCHEMBL27253275 0.78 NPC1 (0.46) NPC1RAB9AIDO1TDO2TDP1

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
EP-4558478-A1 ARYL HYDROCARBON RECEPTOR AGONIST PRODRUGS AND METHODS OF USE THEREOF Allianthera (Suzhou) Biopharmaceutical Co., Ltd. (CN) 2025-05-28 — — EP claimed
WO-2024020170-A1 ARYL HYDROCARBON RECEPTOR AGONIST PRODRUGS AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2024-01-25 — — WO 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
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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