SCHEMBL28856493

SCHEMBL28856493

CCOC(=O)C(C)(C)Sc1ccc(-c2ccc(C3CC3)c3ccccc23)s1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 10/20 0.38
▸ KDM4E B2RXH2 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PRF1 P14222 1/20 0.32
▸ CNR1 P21554 2/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ PKM P14618 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31

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
SCHEMBL28856558 0.85 SLC22A12 (0.49) SLC22A12
SCHEMBL28856519 0.85 SLC22A12 (0.38) SLC22A12PRF1ALDH1A1HPGDTP53
SCHEMBL28856529 0.84 TP53 (0.33) SLC22A12KDM4EL3MBTL1PRF1ALDH1A1
SCHEMBL28856520 0.83 SLC22A12 (0.39) SLC22A12KDM4EL3MBTL1PKMALDH1A1
SCHEMBL28856560 0.81 ALDH1A1 (0.33) SLC22A12KDM4EALDH1A1HPGDTP53
SCHEMBL28856524 0.80 SLC22A12 (0.44) SLC22A12
SCHEMBL28856515 0.78 SLC22A12 (0.43) SLC22A12ALDH1A1TP53
SCHEMBL28856502 0.78 CYP1A2 (0.35) SLC22A12KDM4EL3MBTL1PKMALDH1A1
SCHEMBL28856536 0.78 CYP1A2 (0.35) SLC22A12KDM4EL3MBTL1PKMALDH1A1
SCHEMBL28856495 0.77 ALOX5AP (0.34) KDM4EL3MBTL1PKMALDH1A1HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109608432-B Thiophene derivatives as URAT1 inhibitors 江苏艾立康医药科技有限公司 2022-10-11 — — CN disclosed
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