SCHEMBL3942545

SCHEMBL3942545

COc1ccc2c(C(=O)C(=O)N(CC(=O)NCC(=O)O)C(C(=O)NC3CCCCC3)C3CCCCC3)c[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR4 Q13639 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 1/20 0.37
SOS1 Q07889 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TUBB1 Q9H4B7 2/20 0.36
YAP1 P46937 1/20 0.36
TEAD4 Q15561 1/20 0.36
TP53 P04637 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
SCHEMBL3950373 1.00 MAPT (0.48) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3942598 0.92 MAPT (0.52) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3943996 0.92 MAPT (0.52) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3944471 0.92 MAPT (0.52) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3941764 0.92 MAPT (0.52) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3941856 0.92 MAPT (0.52) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL4355923 0.92 MAPT (0.52) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3941106 0.91 MAPT (0.51) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL4031990 0.91 MAPT (0.51) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL4542623 0.91 MAPT (0.52) MAPTALDH1A1L3MBTL1MEN1KMT2A

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