SCHEMBL30744169

SCHEMBL30744169

CC(C)[Si](OCCc1ccc([C@H](CN2C(=O)c3ccccc3C2=O)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1)(C(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.38
PPARA Q07869 1/20 0.36
IDH1 O75874 11/20 0.36
NAAA Q02083 2/20 0.35
IL6ST P40189 1/20 0.33
NAMPT P43490 3/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK1 P28482 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL23927690 1.00 FAAH (0.38) FAAHPPARAIDH1NAAAIL6ST
SCHEMBL23927693 1.00 FAAH (0.38) FAAHPPARAIDH1NAAAIL6ST
SCHEMBL23927694 1.00 FAAH (0.38) FAAHPPARAIDH1NAAAIL6ST
SCHEMBL23927680 0.92 PPARA (0.38) FAAHPPARAIDH1NAAAIL6ST
SCHEMBL23927683 0.92 PPARA (0.38) FAAHPPARAIDH1NAAAIL6ST
SCHEMBL23927686 0.92 PPARA (0.38) FAAHPPARAIDH1NAAAIL6ST
SCHEMBL23522285 0.85 PPARA (0.39) PPARAIDH1NAAAIL6STMEN1
SCHEMBL30744181 0.85 PPARA (0.39) PPARAIDH1NAAAIL6STMEN1
SCHEMBL23927791 0.80 NAAA (0.44) FAAHPPARAIDH1NAAAIL6ST
SCHEMBL23927790 0.80 NAAA (0.44) FAAHPPARAIDH1NAAAIL6ST

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-112979675-B Small molecular sulfur-containing heterocyclic compound 维眸生物科技(上海)有限公司 2023-12-19 CN disclosed