SCHEMBL9130212

SCHEMBL9130212

C=CCN(C)[C@@](C)([CH]OC(=O)c1ccccc1)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.40
MEN1 O00255 3/20 0.39
CYP3A4 P08684 3/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TBXA2R P21731 1/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGFR P43088 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
PTGIR P43119 1/20 0.35
PTGDR Q13258 1/20 0.35
KIF11 P52732 1/20 0.34
APAF1 O14727 1/20 0.34
UBE2N P61088 1/20 0.34
MAPK1 P28482 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
OPRM1 P35372 2/20 0.34

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
SCHEMBL9130557 1.00 PDPK1 (0.40) PDPK1MEN1CYP3A4KMT2ATDP1
SCHEMBL9130072 0.92 LMNA (0.37) MEN1KMT2AMAPK1SMN1; SMN2TSHR
SCHEMBL9131126 0.90 KDM4E (0.39) MEN1KMT2AL3MBTL1MAPK1SMN1; SMN2
SCHEMBL9131463 0.87 ALDH1A1 (0.36) PDPK1CYP3A4TBXA2RPTGER1PTGER4
SCHEMBL9131147 0.86 TSHR (0.36) MEN1KMT2AMAPK1SMN1; SMN2TSHR
SCHEMBL9127371 0.84 TBXA2R (0.39) PDPK1TBXA2RPTGER1PTGER4PTGFR
SCHEMBL9130216 0.82 PDPK1 (0.40) PDPK1MEN1CYP3A4KMT2ATDP1
SCHEMBL9132894 0.82 TSHR (0.36) TDP1L3MBTL1CYP1A2CYP2D6ALDH1A1
SCHEMBL9133623 0.80 ALDH1A1 (0.38) MEN1CYP3A4KMT2ATDP1SMN1; SMN2
SCHEMBL9130766 0.79 MMP1 (0.38) TBXA2RPTGER1PTGER4PTGFRPTGER3

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