SCHEMBL27353139

SCHEMBL27353139

COC(=O)c1cc(OC[C@H](C)N)cc2c1CCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
PPARG P37231 3/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 1/20 0.36
ACHE P22303 3/20 0.35
ATM Q13315 1/20 0.35
NLRP3 Q96P20 2/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
CXCR5 P32302 1/20 0.34
PSMB5 P28074 1/20 0.34
GAA P10253 1/20 0.33
ALOX15 P16050 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
Hydrochloric Acid SCHEMBL30995648 0.99 L3MBTL1 (0.37) NPC1RAB9AL3MBTL1ALDH1A1HPGD
SCHEMBL27353130 0.81 PPARG (0.40) NPC1RAB9AL3MBTL1ALDH1A1HPGD
SCHEMBL27353151 0.80 ALDH1A1 (0.33) NPC1RAB9AL3MBTL1ALDH1A1HPGD
SCHEMBL27353135 0.80 AAK1 (0.35) NPC1RAB9AL3MBTL1ALDH1A1HPGD
SCHEMBL30995615 0.80 AAK1 (0.35) NPC1RAB9AL3MBTL1ALDH1A1HPGD
SCHEMBL30995629 0.80 ALDH1A1 (0.33) NPC1RAB9AL3MBTL1ALDH1A1HPGD
SCHEMBL7678090 0.80 CXCR5 (0.44) NPC1RAB9AL3MBTL1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL30103006 0.74 L3MBTL1 (0.46) L3MBTL1ALDH1A1HPGDMAPTKDM4E
Hydrochloric Acid SCHEMBL31135603 0.74 L3MBTL1 (0.46) L3MBTL1ALDH1A1HPGDMAPTKDM4E
SCHEMBL4258057 0.74 ACHE (0.44) NPC1RAB9AALDH1A1HPGDMAPT

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-2024126650-A1 NOVEL BICYCLIC-CARBOXAMIDE COMPOUNDS USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION AG (CH) 2024-06-20 WO disclosed