SCHEMBL9028752

SCHEMBL9028752

CN(C)CCN[C@H]1CC[C@@H](C)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
POLB P06746 1/20 0.56
RECQL P46063 1/20 0.56
PRMT3 O60678 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT1 Q99873 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
PKM P14618 1/20 0.37
ADRA2A P08913 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.33
VCP P55072 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
EPHX1 P07099 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA12 O43570 1/20 0.31

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
SCHEMBL9030143 1.00 ALDH1A1 (0.56) ALDH1A1POLBRECQLPRMT3CARM1
SCHEMBL9028760 1.00 ALDH1A1 (0.56) ALDH1A1POLBRECQLPRMT3CARM1
SCHEMBL6013549 0.91
Hydrochloric Acid SCHEMBL31097152 0.89 ALDH1A1 (0.43) ALDH1A1POLBRECQLPRMT3CARM1
SCHEMBL13744511 0.88 ALDH1A1 (0.49) ALDH1A1POLBRECQLPKMADRA2A
SCHEMBL9028938 0.86 ALDH1A1 (0.47) ALDH1A1POLBRECQLSMN1; SMN2TSHR
SCHEMBL9029428 0.86 ALDH1A1 (0.47) ALDH1A1POLBRECQLSMN1; SMN2TSHR
SCHEMBL14107151 0.82 PKM (0.52) ALDH1A1POLBRECQLPRMT3CARM1
SCHEMBL16374974 0.81 ALDH1A1 (0.39) ALDH1A1POLBRECQLPRMT3CARM1
SCHEMBL6654907 0.81 ALDH1A1 (0.39) ALDH1A1POLBRECQLPRMT3CARM1

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