SCHEMBL9030563

SCHEMBL9030563

COc1cc(CCC(=O)N[C@H]2CC[C@H](C)CC2)ccc1OCC(=O)O.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
EPHX1 P07099 1/20 0.46
CTSD P07339 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL9030576 1.00 NPC1 (0.50) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL9029800 0.99 NPC1 (0.51) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL9029791 0.99 NPC1 (0.51) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL9030585 0.98 NPC1 (0.50) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL9030189 0.90 PPARA (0.50) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL9030199 0.90 PPARA (0.50) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL9030571 0.90 NPC1 (0.50) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL9029496 0.88 PPARA (0.53) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL9029482 0.88 PPARA (0.53) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL9028857 0.84 MEN1 (0.47) NPC1RAB9AKMT2AMEN1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0535250-B1 NOVEL COMPOUNDS AND USE THEREOF AS MEDICINE TSUMURA & CO (JP) 1996-06-19 EP disclosed
EP-0705817-A1 New cannamide derivatives and their use as allergy inhibitors TSUMURA & CO. (JP) 1996-04-10 EP disclosed
US-5344845-A Methyl 4(4-acetoxy-3-methoxycinnamanide and salts as an immunosuppressive drug for allergic reactions TSUMURA & CO. (JP) 1994-09-06 US disclosed
EP-0535250-A1 NOVEL COMPOUNDS AND USE THEREOF AS MEDICINE TSUMURA & CO. (JP) 1993-04-07 EP disclosed