SCHEMBL9028850

SCHEMBL9028850

COc1cc(CCC(=O)N[C@H]2CC[C@H](C)CC2)ccc1OCCN(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CTSD P07339 1/20 0.45
EPHX1 P07099 1/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL9029912 1.00 MEN1 (0.47) MEN1KMT2AGAANPC1RAB9A
SCHEMBL9028857 1.00 MEN1 (0.47) MEN1KMT2AGAANPC1RAB9A
Hydrochloric Acid SCHEMBL9028858 0.99 MEN1 (0.46) MEN1KMT2AGAANPC1RAB9A
Hydrochloric Acid SCHEMBL9028730 0.99 MEN1 (0.46) MEN1KMT2AGAANPC1RAB9A
Hydrochloric Acid SCHEMBL9028726 0.99 MEN1 (0.46) MEN1KMT2AGAANPC1RAB9A
SCHEMBL9029599 0.95 MEN1 (0.46) MEN1KMT2AGAANPC1RAB9A
SCHEMBL9029607 0.95 MEN1 (0.46) MEN1KMT2AGAANPC1RAB9A
Hydrochloric Acid SCHEMBL9028955 0.94 MEN1 (0.45) MEN1KMT2AGAANPC1RAB9A
SCHEMBL9030332 0.94 MEN1 (0.45) MEN1KMT2AGAANPC1RAB9A
SCHEMBL9030340 0.94 MEN1 (0.45) MEN1KMT2AGAANPC1RAB9A

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