SCHEMBL4428456

SCHEMBL4428456

COc1ccc(OC)c(-c2cc(OC(=O)NC3CCC3)c(C)n2CC2CCCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
PLA2G2A P14555 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
EPHX2 P34913 1/20 0.42
LMNA P02545 1/20 0.41
CRHBP P24387 1/20 0.41
HTT P42858 1/20 0.41
CRHR2 Q13324 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4424973 0.99 MEN1 (0.46) MEN1KMT2ANPC1RAB9APLA2G2A
SCHEMBL4426908 0.99 MEN1 (0.46) MEN1KMT2ANPC1RAB9APLA2G2A
SCHEMBL4422551 0.97 PLA2G2A (0.44) MEN1KMT2ANPC1RAB9APLA2G2A
SCHEMBL4418668 0.86 PLA2G2A (0.43) MEN1KMT2ANPC1RAB9APLA2G2A
SCHEMBL3917712 0.86 ALDH1A1 (0.57) MEN1KMT2ANPC1RAB9APLA2G2A
SCHEMBL3931017 0.85 ALDH1A1 (0.58) MEN1KMT2ANPC1RAB9APLA2G2A
SCHEMBL3918365 0.85 ALDH1A1 (0.58) MEN1KMT2ANPC1RAB9APLA2G2A
SCHEMBL4427086 0.85 PLA2G2A (0.42) MEN1KMT2ANPC1RAB9APLA2G2A
SCHEMBL4416088 0.85 PLA2G2A (0.42) MEN1KMT2ANPC1RAB9APLA2G2A
SCHEMBL4426602 0.85 PLA2G2A (0.42) NPC1RAB9APLA2G2AALDH1A1TDP1

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-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 EP claimed