SCHEMBL689352

SCHEMBL689352

C[C@H]1CC[C@H](N(C(=O)NC(=O)NCC2CCC(C(=O)O)CC2)C2CCCCC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
EPHX1 P07099 6/20 0.37
HSD11B1 P28845 1/20 0.36
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.33
MEN1 O00255 2/20 0.32
EPHX2 P34913 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
PLG P00747 1/20 0.32
PLAT P00750 1/20 0.32
LMNA P02545 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 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
SCHEMBL688620 1.00 SMN1; SMN2 (0.37) SMN1; SMN2EPHX1HSD11B1KMT2AALDH1A1
SCHEMBL688621 1.00 SMN1; SMN2 (0.37) SMN1; SMN2EPHX1HSD11B1KMT2AALDH1A1
SCHEMBL2667367 0.78 EPHX2 (0.40) EPHX1KMT2AALDH1A1MEN1EPHX2
SCHEMBL12384847 0.76 EPHX2 (0.50) EPHX1EPHX2
SCHEMBL687588 0.72 ALDH1A1 (0.43) EPHX1KMT2AALDH1A1MEN1TSHR
SCHEMBL12384849 0.71 NPSR1 (0.48) SMN1; SMN2EPHX1KMT2AALDH1A1MEN1
SCHEMBL9071835 0.71 NPSR1 (0.48) SMN1; SMN2EPHX1KMT2AALDH1A1MEN1
SCHEMBL9071824 0.69 ALDH1A1 (0.46) SMN1; SMN2EPHX1KMT2AALDH1A1CYP3A4
SCHEMBL8598891 0.69 EPHX1 (0.75) SMN1; SMN2EPHX1ALDH1A1CYP3A4EPHX2
SCHEMBL8598712 0.69 EPHX1 (0.75) SMN1; SMN2EPHX1ALDH1A1CYP3A4EPHX2

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
EP-1904438-B1 DICYCLOALKYLCARBAMOYL UREAS AS GLUCOKINASE ACTIVATORS NOVO NORDISK AS (DK) 2012-02-29 EP claimed