SCHEMBL9029599

SCHEMBL9029599

COc1cc(CCC(=O)N[C@H]2CC[C@H](C)CC2)ccc1OCCCN(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC2 Q92769 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
EPHX1 P07099 1/20 0.44
ATM Q13315 1/20 0.43
CTSD P07339 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL9029607 1.00 MEN1 (0.46) MEN1KMT2AGAAHDAC1HDAC2
Hydrochloric Acid SCHEMBL9028955 0.99 MEN1 (0.45) MEN1KMT2AGAAHDAC1HDAC2
Hydrochloric Acid SCHEMBL9028948 0.99 MEN1 (0.45) MEN1KMT2AGAAHDAC1HDAC2
SCHEMBL9030340 0.97 MEN1 (0.45) MEN1KMT2AGAAHDAC1HDAC2
SCHEMBL9030332 0.97 MEN1 (0.45) MEN1KMT2AGAAHDAC1HDAC2
Hydrochloric Acid SCHEMBL9028701 0.96 MEN1 (0.45) MEN1KMT2AGAAHDAC1HDAC2
Hydrochloric Acid SCHEMBL9028713 0.96 MEN1 (0.45) MEN1KMT2AGAAHDAC1HDAC2
SCHEMBL9029304 0.96 THRA (0.45) MEN1KMT2AGAAHDAC1HDAC2
SCHEMBL9029296 0.96 THRA (0.45) MEN1KMT2AGAAHDAC1HDAC2
Hydrochloric Acid SCHEMBL9030075 0.95 THRA (0.44) MEN1KMT2AGAAHDAC1HDAC2

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