SCHEMBL4347407

SCHEMBL4347407

COc1cc2[nH]cc(C(=O)C(=O)N(CC(=O)O)C(C(=O)NC3CCCCC3)C3CCCCC3)c2cc1OC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
MAPK1 P28482 3/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 2/20 0.40
TSHR P16473 2/20 0.39
MAPK14 Q16539 1/20 0.39
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
EPHX1 P07099 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3944471 0.88 MAPT (0.52) ALDH1A1KDM4EHSD17B10GAARAB9A
SCHEMBL3943996 0.88 MAPT (0.52) ALDH1A1KDM4EHSD17B10GAARAB9A
SCHEMBL3941856 0.88 MAPT (0.52) ALDH1A1KDM4EHSD17B10GAARAB9A
SCHEMBL3942598 0.88 MAPT (0.52) ALDH1A1KDM4EHSD17B10GAARAB9A
SCHEMBL4130491 0.88 HTR4 (0.49) ALDH1A1KDM4EPOLBTSHRNPSR1
SCHEMBL3941764 0.88 MAPT (0.52) ALDH1A1KDM4EHSD17B10GAARAB9A
SCHEMBL4542623 0.86 MAPT (0.52) ALDH1A1KDM4EHSD17B10GAARAB9A
SCHEMBL4032664 0.85 RAB9A (0.42) ALDH1A1KDM4EPOLBRAB9ANPC1
SCHEMBL3943591 0.85 RAB9A (0.39) ALDH1A1KDM4EHPGDTSHRRAB9A
SCHEMBL3945834 0.84 RAB9A (0.38) ALDH1A1KDM4EHPGDMAPK1HSD17B10

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
WO-2009019508-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-02-12 WO disclosed