SCHEMBL3944346

SCHEMBL3944346

COc1ccc2c(C(=O)C(=O)N(CC(=O)O)[C@@H](C(=O)NC3CCOCC3)C3CCCCC3)c[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR4 Q13639 2/20 0.39
NPC1 O15118 2/20 0.38
RECQL P46063 1/20 0.38
SOS1 Q07889 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
ALOX15 P16050 1/20 0.36
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
SCHEMBL3944471 0.94 MAPT (0.52) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL3942598 0.94 MAPT (0.52) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL3941856 0.94 MAPT (0.52) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL3941764 0.94 MAPT (0.52) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL3943996 0.94 MAPT (0.52) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL4542623 0.94 MAPT (0.52) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL3950160 0.93 ALDH1A1 (0.48) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL3951135 0.92 MAPT (0.49) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL3950091 0.90 MAPT (0.48) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL3945797 0.89 MAPT (0.47) MAPTALDH1A1L3MBTL1KDM4EMEN1

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