SCHEMBL30744181

SCHEMBL30744181

Cc1ccc([C@H](CN2C(=O)c3ccccc3C2=O)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.39
IDH1 O75874 7/20 0.38
NAAA Q02083 3/20 0.37
IL6ST P40189 1/20 0.37
AGTR2 P50052 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL23522285 1.00 PPARA (0.39) PPARAIDH1NAAAIL6STAGTR2
SCHEMBL23927683 0.86 PPARA (0.38) PPARAIDH1NAAAIL6STCYP3A4
SCHEMBL23927686 0.86 PPARA (0.38) PPARAIDH1NAAAIL6STCYP3A4
SCHEMBL23927680 0.86 PPARA (0.38) PPARAIDH1NAAAIL6STCYP3A4
SCHEMBL23927693 0.85 FAAH (0.38) PPARAIDH1NAAAIL6STMAPK1
SCHEMBL30744169 0.85 FAAH (0.38) PPARAIDH1NAAAIL6STMAPK1
SCHEMBL23927690 0.85 FAAH (0.38) PPARAIDH1NAAAIL6STMAPK1
SCHEMBL23927694 0.85 FAAH (0.38) PPARAIDH1NAAAIL6STMAPK1
SCHEMBL10049895 0.81 PPARA (0.40) PPARAIDH1NAAAIL6STAGTR2
SCHEMBL8555423 0.80 GAA (0.46) PPARAIDH1NAAAIL6STAGTR2

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