SCHEMBL28856504

SCHEMBL28856504

O=C(O)C1CCC1Sc1ccc(-c2ccc(C3CC3)c3ccccc23)s1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 12/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C1 Q04828 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ SLC22A11 Q9NSA0 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ GRM2 Q14416 1/20 0.31
▸ GRM3 Q14832 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
SCHEMBL28856516 0.93 KDM4E (0.33) SLC22A12CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28856521 0.93 SLC22A12 (0.33) SLC22A12AKR1C3AKR1C1CYP1A2CYP2D6
SCHEMBL28955000 0.85 HPGD (0.34) SLC22A12CYP1A2
SCHEMBL28856553 0.85 SLC22A12 (0.31) SLC22A12HTR6
SCHEMBL28856536 0.84 CYP1A2 (0.35) SLC22A12CYP1A2CYP2C19
SCHEMBL28856487 0.83 GRM2 (0.31) GRM2GRM3
SCHEMBL28856517 0.82 SLC22A12 (0.43) SLC22A12
SCHEMBL28856551 0.82 SLC22A12 (0.31) SLC22A12
SCHEMBL28856502 0.80 CYP1A2 (0.35) SLC22A12CYP1A2CYP2C19
SCHEMBL28856496 0.80 CA12 (0.39) SLC22A12CYP1A2

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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