SCHEMBL21751904

SCHEMBL21751904

CCCc1ccc(S(=O)(=O)O)c(OCCOCCOCCOS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ ENPP1 P22413 1/20 0.38
▸ KMT2A Q03164 3/20 0.36
▸ CNR2 P34972 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ S1PR3 Q99500 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALPI P09923 1/20 0.33
▸ CYP1A2 P05177 4/20 0.33
▸ CYP2D6 P10635 3/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALPL P05186 1/20 0.32
▸ HPGD P15428 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
SCHEMBL30828333 0.84 CA12 (0.46) CA12CA1CA9KMT2AMEN1
SCHEMBL27847781 0.78 HTR2A (0.37) S1PR3ALDH1A1
SCHEMBL18613996 0.78 CA12 (0.43) CA12CA1CA9KMT2AMEN1
SCHEMBL14726589 0.77 BIRC5 (0.46) CA12CA1CA9KMT2ACNR2
SCHEMBL16619075 0.76 CA12 (0.39) CA12CA1CA9KMT2AMEN1
SCHEMBL18613992 0.76 CA12 (0.39) CA12CA1CA9KMT2AMEN1
SCHEMBL11911915 0.76 BIRC5 (0.47) CA12CA1CA9KMT2AMEN1
SCHEMBL18613993 0.74 CA12 (0.38) CA12CA1CA9KDM4ECYP2D6
SCHEMBL28838991 0.74 LMNA (0.40) CA12CA1CA9KMT2AMEN1
SCHEMBL2486732 0.74 CYP2D6 (0.39) CA12CA1CA9ENPP1KMT2A

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
EP-3841100-A1 PROTEOLYSIS TARGETING CHIMERIC (PROTAC) COMPOUND WITH E3 UBIQUITIN LIGASE BINDING ACTIVITY AND TARGETING ALPHA-SYNUCLEIN PROTEIN FOR TREATING NEURODEGENERATIVE DISEASES Arvinas Operations, Inc. (US) 2021-06-30 — — EP disclosed
WO-2020041331-A1 PROTEOLYSIS TARGETING CHIMERIC (PROTAC) COMPOUND WITH E3 UBIQUITIN LIGASE BINDING ACTIVITY AND TARGETING ALPHA-SYNUCLEIN PROTEIN FOR TREATING NEURODEGENERATIVE DISEASES ARVINAS OPERATIONS, INC. (US) 2020-02-27 — — WO disclosed
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