SCHEMBL4211554

SCHEMBL4211554

COc1ccc2c(C(=O)C(=O)N(CCC(=O)O)CC(=O)NC3(C4CCCCC4)CCCCC3)c[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TUBB1 Q9H4B7 2/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 2/20 0.37
ALOX15 P16050 1/20 0.37
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 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
SCHEMBL3941334 0.97 MAPT (0.49) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3950925 0.94 MAPT (0.51) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3946900 0.88 ALDH1A1 (0.49) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL4038220 0.88 ALDH1A1 (0.47) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL4357340 0.88 ALDH1A1 (0.47) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3950155 0.86 ALDH1A1 (0.46) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3942258 0.85 ALDH1A1 (0.45) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3944219 0.85 ALDH1A1 (0.44) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL4030827 0.85 ALDH1A1 (0.44) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL4211551 0.82 MAPT (0.59) 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 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