SCHEMBL9029482

SCHEMBL9029482

COc1cc(CCC(=O)N[C@H]2CC[C@H](C)CC2)ccc1OCCCCCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.53
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
CNR2 P34972 8/20 0.48
CNR1 P21554 7/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL9029496 1.00 PPARA (0.53) PPARAKDM4EALDH1A1MAPK1CNR2
SCHEMBL9030189 0.96 PPARA (0.50) PPARAKDM4EALDH1A1MAPK1MEN1
SCHEMBL9030199 0.96 PPARA (0.50) PPARAKDM4EALDH1A1MAPK1MEN1
SCHEMBL9029304 0.89 THRA (0.45) KDM4EALDH1A1MAPK1CNR2CNR1
SCHEMBL9029296 0.89 THRA (0.45) KDM4EALDH1A1MAPK1CNR2CNR1
SCHEMBL9029791 0.89 NPC1 (0.51) ALDH1A1MEN1KMT2AGAANPC1
SCHEMBL9029800 0.89 NPC1 (0.51) ALDH1A1MEN1KMT2AGAANPC1
Hydrochloric Acid SCHEMBL9030075 0.89 THRA (0.44) KDM4EALDH1A1MAPK1CNR2CNR1
Hydrochloric Acid SCHEMBL9030081 0.89 THRA (0.44) KDM4EALDH1A1MAPK1CNR2CNR1
SCHEMBL9030332 0.88 MEN1 (0.45) PPARAKDM4EALDH1A1MAPK1CNR2

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