SCHEMBL4025964

SCHEMBL4025964

COc1ccc2c(C(=O)C(=O)N(CC(=O)O)C(C(N)=O)(C3CCCCC3)C3CCC(F)(F)CC3)c[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPT P10636 5/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.38
RECQL P46063 1/20 0.38
TUBB1 Q9H4B7 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 1/20 0.36
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL4029168 0.93 ALDH1A1 (0.51) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL3950315 0.82 ALDH1A1 (0.39) ALDH1A1MAPTL3MBTL1KMT2ASMN1; SMN2
SCHEMBL4204113 0.80 ALDH1A1 (0.39) ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL4029459 0.80 CCR5 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4023062 0.77 MAPT (0.38) ALDH1A1MAPTL3MBTL1KDM4EGAA
SCHEMBL4199729 0.76 ALDH1A1 (0.41) ALDH1A1MAPTL3MBTL1KMT2ASMN1; SMN2
SCHEMBL3945797 0.76 MAPT (0.47) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL3945800 0.76 MAPT (0.47) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL3265135 0.75 ALDH1A1 (0.67) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL4025967 0.75 MAPT (0.47) ALDH1A1MAPTL3MBTL1MEN1KMT2A

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