SCHEMBL28388162

SCHEMBL28388162

CCOC(=O)C(C)(C)Oc1cc(C#N)c2ccccc2c1-c1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 3/20 0.54
▸ KDM4E B2RXH2 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ FBP1 P09467 1/20 0.39
▸ PPARA Q07869 5/20 0.38
▸ PPARG P37231 4/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ XDH P47989 1/20 0.37
▸ CACNA1C Q13936 1/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ PMP22 Q01453 1/20 0.37

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
SCHEMBL17899864 0.85 SLC22A12 (0.75) SLC22A12KDM4ETDP1ALDH1A1HSD17B10
SCHEMBL28386432 0.82 SLC22A12 (0.53) SLC22A12KDM4ETDP1CNR2PPARA
SCHEMBL28384020 0.74 IMPDH2 (0.51) SLC22A12KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL860254 0.72 PPARA (0.40) KDM4EALDH1A1HSD17B10FBP1PPARA
SCHEMBL9037321 0.71 TSHR (0.46) SLC22A12HSD17B10FBP1PPARAPPARG
SCHEMBL9035224 0.71 TSHR (0.46) HSD17B10CNR2FBP1PPARAPPARG
SCHEMBL17899873 0.70 SLC22A12 (1.00) SLC22A12KDM4EALDH1A1HSD17B10PPARA
SCHEMBL4431085 0.70 FBP1 (0.46) KDM4EALDH1A1HSD17B10FBP1PPARA
SCHEMBL17899889 0.70 SLC22A12 (0.74) SLC22A12KDM4ETDP1MAPT
SCHEMBL7571218 0.69 CDC25B (0.50) KDM4ETDP1ALDH1A1HSD17B10XDH

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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