SCHEMBL20569042

SCHEMBL20569042

CCOC(=O)[C@@H]1C[C@@H]1Oc1ccc(I)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ ACHE P22303 1/20 0.38
▸ DGKZ Q13574 1/20 0.37
▸ PKM P14618 2/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ OPRM1 P35372 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 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
SCHEMBL20569040 1.00 L3MBTL1 (0.40) L3MBTL1CA12CA1CA2CA9
SCHEMBL20569443 1.00 L3MBTL1 (0.40) L3MBTL1CA12CA1CA2CA9
SCHEMBL24658819 1.00 L3MBTL1 (0.40) L3MBTL1CA12CA1CA2CA9
SCHEMBL23055169 0.83 ALDH1A1 (0.41) L3MBTL1CA12CA1CA2CA9
SCHEMBL23055156 0.82 DGKZ (0.43) L3MBTL1CA12CA1CA2CA9
SCHEMBL23055178 0.81 DGKZ (0.42) L3MBTL1CA12CA1CA2CA9
SCHEMBL28750693 0.81 DGKZ (0.42) L3MBTL1CA12CA1CA2CA9
SCHEMBL24658820 0.78 RXRA (0.39) L3MBTL1CA1CA2CA9ALDH1A1
SCHEMBL20572276 0.76 MAPT (0.46) PKMMAPTALDH1A1
SCHEMBL20572278 0.76 MAPT (0.46) PKMMAPTALDH1A1

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
WO-2022173756-A1 ANTIBACTERIAL COMPOUNDS FORGE THERAPEUTICS, INC. (US) 2022-08-18 — — WO disclosed
WO-2018216822-A1 NOVEL IMIDAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-11-29 — — WO disclosed
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