SCHEMBL13190171

SCHEMBL13190171

COC(=O)C(C)(C)[C@@H](O[Si](C)(C)C)c1cc(OC)cc(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ GAA P10253 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ ALPL P05186 1/20 0.33
▸ STAT1 P42224 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TNF P01375 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
SCHEMBL16503511 0.92 CYP26A1 (0.37) CYP26A1KMT2AGAAKDM4ENPSR1
SCHEMBL13190170 0.84 CNR1 (0.37) CYP26A1
SCHEMBL6049430 0.79 KCNN4 (0.42) CYP26A1KMT2AALDH1A1
SCHEMBL16503515 0.78 CYP26A1 (0.47) CYP26A1
SCHEMBL11071476 0.67 DGAT1 (0.34) —
SCHEMBL4720153 0.66 ACP3 (0.39) KMT2AALDH1A1STAT1TNF
SCHEMBL11074828 0.64 DGAT1 (0.32) —
SCHEMBL11076796 0.64 L3MBTL1 (0.39) KMT2ANPSR1ALDH1A1
SCHEMBL9709122 0.64 ALDH1A1 (0.38) KMT2AALDH1A1
SCHEMBL1818480 0.63 ALDH1A1 (0.58) KMT2AALDH1A1

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-2403842-B1 CHIRAL DISULFONIMIDES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2016-06-29 — — EP disclosed
WO-2010099786-A1 CHIRAL DISULFONIMIDES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2010-09-10 — — WO disclosed
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