SCHEMBL30104847

SCHEMBL30104847

C[C@@H](COCCC(=O)OCc1ccccc1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.43
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
SYK P43405 1/20 0.39
ABCB1 P08183 1/20 0.39
PPARA Q07869 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
LMNA P02545 1/20 0.37
CTSS P25774 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL30104803 0.79 PPARA (0.52) SYKPPARACTSS
SCHEMBL12574290 0.78 FOLH1 (0.48) L3MBTL1ALDH1A1MAPK1SYKABCB1
SCHEMBL30878162 0.78 POLB (0.47) L3MBTL1NPSR1ALDH1A1SYKABCB1
SCHEMBL30307663 0.78 POLB (0.47) L3MBTL1NPSR1ALDH1A1SYKABCB1
SCHEMBL2499502 0.78 POLB (0.47) L3MBTL1NPSR1ALDH1A1SYKABCB1
SCHEMBL30104830 0.78 HDAC6 (0.32)
SCHEMBL1626511 0.77 L3MBTL1 (0.48) L3MBTL1ALDH1A1MAPK1SYKLMNA
SCHEMBL12574289 0.77 ALDH1A1 (0.45) L3MBTL1NPSR1ALDH1A1MAPK1SYK
SCHEMBL28956076 0.76 L3MBTL1 (0.47) L3MBTL1ALDH1A1MAPK1SYKLMNA
SCHEMBL23811003 0.75 L3MBTL1 (0.45) L3MBTL1NPSR1ALDH1A1SYKABCB1

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
WO-2022247839-A1 PARP7 INHIBITOR 山东轩竹医药科技有限公司 2022-12-01 WO disclosed