SCHEMBL30998038

SCHEMBL30998038

COc1cc(S(=O)(=O)O)c(Cl)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPT P10636 1/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ TSHR P16473 3/20 0.46
▸ LMNA P02545 1/20 0.41
▸ TRPV4 Q9HBA0 1/20 0.41
▸ ALPL P05186 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ GLA P06280 1/20 0.40

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
SCHEMBL30998040 1.00 POLB (0.54) POLBALDH1A1GAAKDM4EMAPT
SCHEMBL2845366 1.00 POLB (0.54) POLBALDH1A1GAAKDM4EMAPT
SCHEMBL2849735 0.92 TSHR (0.54) POLBALDH1A1GAAKDM4EMAPT
SCHEMBL2905614 0.84 GAA (0.56) POLBALDH1A1GAAKDM4EMAPT
SCHEMBL9232355 0.84 GAA (0.56) POLBALDH1A1GAAKDM4EMAPT
SCHEMBL10600761 0.80 NPC1 (0.56) POLBALDH1A1GAAKDM4EMAPT
SCHEMBL1888725 0.79 ALDH1A1 (0.51) POLBALDH1A1GAAKDM4EMAPT
SCHEMBL5443614 0.79 CA1 (0.43) ALDH1A1TSHRLMNATRPV4
SCHEMBL826419 0.77 L3MBTL1 (0.44) ALDH1A1TSHRLMNAMAPK1
SCHEMBL29410051 0.77 L3MBTL1 (0.44) ALDH1A1TSHRLMNAMAPK1

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
CN-118852054-A Benzothiadiazepines cycloheptatriene compounds Compounds and their use as bile acid modulators 阿尔比里奥公司 2024-10-29 — — CN disclosed
CN-113677398-B Benzothiadiazepine compounds and their use as bile acid modulators 阿尔比里奥公司 2024-07-23 — — CN disclosed
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