SCHEMBL28856560

SCHEMBL28856560

CCOC(=O)C(C)(C)Sc1ccc(-c2ccc(C(C)C)c3ccccc23)s1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.33
▸ HPGD P15428 3/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ NLRP3 Q96P20 2/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ PIN1 Q13526 1/20 0.32
▸ PRNP P04156 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ PPOX P50336 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL28856519 0.87 SLC22A12 (0.38) ALDH1A1HPGDTDP1TP53PPARA
SCHEMBL28856529 0.86 TP53 (0.33) ALDH1A1HPGDTDP1TP53PPARA
SCHEMBL28856520 0.85 SLC22A12 (0.39) ALDH1A1HPGDTDP1TP53PPARA
SCHEMBL28856548 0.84 PPARA (0.47) PPARASLC22A12
SCHEMBL28856524 0.82 SLC22A12 (0.44) MAPTSLC22A12
SCHEMBL28856493 0.81 SLC22A12 (0.38) ALDH1A1HPGDTP53KDM4ESLC22A12
SCHEMBL28856515 0.80 SLC22A12 (0.43) ALDH1A1TP53PRNPSLC22A12
SCHEMBL28856492 0.71 PPARA (0.48) PPARASLC22A12
SCHEMBL28856538 0.71 SLC22A12 (0.53) ALDH1A1HPGDPPARAMAPTSLC22A12
SCHEMBL28856512 0.70 PPARA (0.41) ALDH1A1TP53PPARAPIN1MMP8

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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