SCHEMBL9130770

SCHEMBL9130770

C=CCN(C)[C@](C)(COC(=O)/C=C/c1ccc(Cl)cc1)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
MMP1 P03956 1/20 0.38
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.37
GPR183 P32249 1/20 0.36
USP2 O75604 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL9127374 0.93 LMNA (0.40) MMP1LMNAL3MBTL1ALDH1A1
SCHEMBL9132898 0.85 MAPT (0.41) KDM4EMEN1KMT2AL3MBTL1MAPT
SCHEMBL9130766 0.83 MMP1 (0.38) KDM4EMMP1GAALMNAGPR183
SCHEMBL9131152 0.83 TACR1 (0.36) MEN1KMT2AL3MBTL1
SCHEMBL9130081 0.80 KMT2A (0.39) KDM4EGAALMNAMEN1KMT2A
SCHEMBL9130216 0.79 PDPK1 (0.40) GAALMNAMEN1KMT2AL3MBTL1
SCHEMBL9131466 0.79 ALDH1A1 (0.41) KDM4EATML3MBTL1MAPTALDH1A1
SCHEMBL9133627 0.77 ALDH1A1 (0.44) KDM4EMEN1KMT2AALDH1A1
SCHEMBL9131131 0.77 KDM4E (0.44) KDM4EGAALMNAMEN1KMT2A
SCHEMBL9127371 0.76 TBXA2R (0.39) MMP1LMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5472970-A Allylaminoesters and their application in therapeutics INSTITUT DE RECHERCHE JOUVEINAL S.A. (FR) 1995-12-05 US disclosed