SCHEMBL28387537

SCHEMBL28387537

CC(CSc1ccc2ccccc2c1-c1ccc(C#N)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 7/20 0.51
▸ MMP3 P08254 3/20 0.39
▸ FNTA P49354 2/20 0.35
▸ FNTB P49356 2/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ GPR119 Q8TDV5 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
SCHEMBL19435501 0.79 SLC22A12 (0.55) SLC22A12MMP3CA1CA2GPR119
SCHEMBL28388165 0.77 SLC22A12 (0.40) SLC22A12FNTAFNTBGPR119
SCHEMBL19453076 0.76 SLC22A12 (0.55) SLC22A12MMP3CTSSCTSKCA1
SCHEMBL17899858 0.75 SLC22A12 (0.74) SLC22A12MMP3CA1CA2GPR119
SCHEMBL17899876 0.73 SLC22A12 (0.67) SLC22A12
SCHEMBL29441758 0.73 SLC22A12 (0.67) SLC22A12
SCHEMBL28387584 0.73 ELANE (0.40) SLC22A12MMP3FNTAFNTBMMP2
SCHEMBL28386412 0.73 SLC22A12 (0.44) SLC22A12FNTAFNTB
SCHEMBL28383766 0.73 SLC22A12 (0.63) SLC22A12FNTAFNTB
SCHEMBL23129626 0.72 SLC22A12 (0.57) SLC22A12MMP3CA1CA2

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-107108478-B URAT1 inhibitors 日本化学药品株式会社 2020-04-24 — — CN disclosed
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