SCHEMBL9445845

SCHEMBL9445845

CO[C@H](C(=O)O)c1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
ESR1 P03372 1/20 0.45
FABP4 P15090 1/20 0.45
FABP5 Q01469 1/20 0.45
ACP3 P15309 1/20 0.43
PPARA Q07869 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9445841 1.00 LMNA (0.45) LMNAESR1FABP4FABP5ACP3
SCHEMBL9445842 1.00 LMNA (0.45) LMNAESR1FABP4FABP5ACP3
SCHEMBL11556826 0.88 FABP4 (0.49) LMNAFABP4FABP5PPARAKEAP1
SCHEMBL27961315 0.83 ESR1 (0.44) ESR1ACP3PPARAALDH1A1L3MBTL1
SCHEMBL23057886 0.81 ALDH1A1 (0.49) ESR1ACP3PPARAALDH1A1L3MBTL1
SCHEMBL29974504 0.81 ALDH1A1 (0.49) ESR1ACP3PPARAALDH1A1L3MBTL1
SCHEMBL9445847 0.81 KMT2A (0.53) LMNAFABP4FABP5ALDH1A1L3MBTL1
SCHEMBL9445850 0.81 KMT2A (0.53) LMNAFABP4FABP5ALDH1A1L3MBTL1
SCHEMBL9163395 0.81 KMT2A (0.53) LMNAFABP4FABP5ALDH1A1L3MBTL1
SCHEMBL21727863 0.80 ESR1 (0.41) LMNAESR1ACP3SLC6A2SLC6A4

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
US-5270342-A Acetamide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US disclosed