SCHEMBL23043878

SCHEMBL23043878

CC(C)(C)[Si](C)(C)OCC#Cc1cc(C(=O)O)c(C(=O)O)cc1C#N

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 1/20 0.34
▸ XDH P47989 6/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33
▸ GLA P06280 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL29707038 0.88 GAA (0.42) KDM4EHSD17B10ALDH1A1HPGDGLA
SCHEMBL23051557 0.88 GAA (0.42) KDM4EHSD17B10ALDH1A1HPGDGLA
SCHEMBL23043891 0.73 KDM4E (0.40) KDM4EHSD17B10ALDH1A1HPGDXDH
SCHEMBL8586090 0.70 KDM4E (0.50) KDM4EHSD17B10ALDH1A1HPGDXDH
SCHEMBL15357877 0.69 CYP46A1 (0.40) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL30087109 0.69 HPGDS (0.30) —
SCHEMBL31219573 0.68 NNMT (0.31) —
SCHEMBL31220060 0.68 KDM4E (0.33) KDM4EGAA
SCHEMBL9091041 0.67 — —
SCHEMBL2160545 0.67 — —

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-4021580-A1 CEREBLON E3 LIGASE INHIBITORS The Regents Of The University Of Michigan (US) 2022-07-06 — — EP disclosed
WO-2021041664-A1 CEREBLON E3 LIGASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-03-04 — — WO disclosed
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