SCHEMBL28856558

SCHEMBL28856558

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 19/20 0.49
▸ PPARA Q07869 1/20 0.45
▸ SLC22A11 Q9NSA0 2/20 0.34
▸ SLC22A6 Q4U2R8 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL28856493 0.85 SLC22A12 (0.38) SLC22A12
SCHEMBL28856538 0.82 SLC22A12 (0.53) SLC22A12PPARASLC22A11SLC22A6CYP1A2
SCHEMBL28856513 0.81 SLC22A12 (0.54) SLC22A12PPARASLC22A11SLC22A6CYP1A2
SCHEMBL28856492 0.80 PPARA (0.48) SLC22A12PPARASLC22A11SLC22A6CYP1A2
SCHEMBL28856548 0.79 PPARA (0.47) SLC22A12PPARASLC22A11SLC22A6
SCHEMBL28856528 0.78 SLC22A12 (0.57) SLC22A12PPARASLC22A11SLC22A6
SCHEMBL28856521 0.76 SLC22A12 (0.33) SLC22A12SLC22A11CYP1A2CYP3A4CYP2D6
SCHEMBL28856504 0.76 SLC22A12 (0.33) SLC22A12SLC22A11CYP1A2CYP3A4CYP2D6
SCHEMBL28856531 0.75 SLC22A12 (0.58) SLC22A12PPARASLC22A11SLC22A6
SCHEMBL28856516 0.74 KDM4E (0.33) SLC22A12SLC22A11CYP1A2CYP3A4CYP2D6

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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