SCHEMBL28856476

SCHEMBL28856476

CCOC(=O)C1CCC1Sc1ccc(Br)s1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 10/20 0.42
▸ CA2 P00918 10/20 0.42
▸ CA9 Q16790 8/20 0.42
▸ CA12 O43570 7/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ POLB P06746 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35

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
SCHEMBL28856497 0.93 ALDH1A1 (0.45) CA1CA2CA9CA12ALDH1A1
SCHEMBL28856480 0.91 CA1 (0.43) CA1CA2CA9CA12ALDH1A1
SCHEMBL28856511 0.79 CA1 (0.35) CA1CA2CA9CA12ALDH1A1
SCHEMBL28856479 0.76 MAPT (0.34) ALDH1A1TSHRMAPK1MAPTPKM
SCHEMBL14885478 0.76 CA1 (0.42) CA1CA2CA9CA12ALDH1A1
SCHEMBL16010092 0.76 CA1 (0.42) CA1CA2CA9CA12ALDH1A1
SCHEMBL25964293 0.76 CA1 (0.42) CA1CA2CA9CA12ALDH1A1
SCHEMBL14882300 0.76 CA1 (0.42) CA1CA2CA9CA12ALDH1A1
SCHEMBL28856544 0.76 MAPT (0.34) CA1CA2CA9CA12ALDH1A1
SCHEMBL28856483 0.74 SMN1; SMN2 (0.34) CA1CA2CA9CA12ALDH1A1

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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