SCHEMBL3942255

SCHEMBL3942255

COc1ccc2c(C(=O)C(=O)N(CC(=O)N3CCOCC3)CC(=O)N(C3CCCCC3)C3CCCCC3)c[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
MAPT P10636 5/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 1/20 0.40
ALOX15 P16050 1/20 0.40
RECQL P46063 1/20 0.40
TSHR P16473 1/20 0.38
PSMD14 O00487 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2C P28335 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38

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
SCHEMBL4038215 0.94 ALDH1A1 (0.57) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL4357338 0.94 ALDH1A1 (0.57) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3950434 0.86 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3950152 0.85 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL4158477 0.85 MAPT (0.60) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3950920 0.85 ALDH1A1 (0.62) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3950113 0.84 ALDH1A1 (0.54) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3950431 0.83 MAPT (0.60) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3942258 0.83 ALDH1A1 (0.45) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL4211551 0.83 MAPT (0.59) ALDH1A1MAPTL3MBTL1KDM4EMEN1

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