SCHEMBL30217168

SCHEMBL30217168

COC(=O)CCc1cccc(C(=O)c2cnc(-c3cccc(Oc4ccc5[nH]ccc5c4C=O)c3)[nH]2)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 1/20 0.33
▸ CDK8 P49336 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ DNMT3B Q9UBC3 1/20 0.32
▸ VDR P11473 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ HPGDS O60760 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ FAAH O00519 1/20 0.30
▸ ROCK2 O75116 2/20 0.30
▸ ROCK1 Q13464 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
SCHEMBL29237475 1.00 DGAT2 (0.33) DGAT2CDK8NR1H2NR1H3DNMT3B
SCHEMBL30967771 1.00 DGAT2 (0.33) DGAT2CDK8NR1H2NR1H3DNMT3B
SCHEMBL29237384 0.92 DGAT2 (0.32) DGAT2CDK8DNMT3BVDRPPARD
SCHEMBL30217164 0.92 DGAT2 (0.32) DGAT2CDK8DNMT3BVDRPPARD
SCHEMBL29237406 0.89 DGAT2 (0.34) DGAT2CDK8DNMT3BVDRPPARD
SCHEMBL30217287 0.89 DGAT2 (0.34) DGAT2CDK8DNMT3BVDRPPARD
SCHEMBL30967803 0.89 DGAT2 (0.34) DGAT2CDK8NR1H2NR1H3DNMT3B
SCHEMBL30217176 0.89 DGAT2 (0.34) DGAT2CDK8NR1H2NR1H3DNMT3B
SCHEMBL30216992 0.87 MTNR1A (0.38) DGAT2CDK8DNMT3BROCK2ROCK1
SCHEMBL29237332 0.87 MTNR1A (0.38) DGAT2CDK8DNMT3BROCK2ROCK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4396179-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION (US) 2024-07-10 — — EP disclosed
WO-2023034992-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION (US) 2023-03-09 — — WO disclosed
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