SCHEMBL3939700

SCHEMBL3939700

O=C(O)CN(CC(=O)N(C1CCCCC1)C1CCCCC1)C(=O)C(=O)c1c[nH]c2cc(CO)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GABRA1 P14867 5/20 0.36
GABRB2 P47870 5/20 0.36
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PRKAB2 O43741 3/20 0.34
PRKAG1 P54619 3/20 0.34
PRKAA2 P54646 3/20 0.34
PRKAA1 Q13131 3/20 0.34
PRKAG3 Q9UGI9 3/20 0.34
PRKAG2 Q9UGJ0 3/20 0.34
PRKAB1 Q9Y478 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
GABRG2 P18507 4/20 0.34
GABRB3 P28472 4/20 0.34
GABRA3 P34903 4/20 0.34
GABRA2 P47869 4/20 0.34

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
SCHEMBL3945339 0.87 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1RAB9ANPC1
SCHEMBL3942488 0.85 RAB9A (0.49) GABRA1GABRB2RAB9ANPC1GABRG2
SCHEMBL4204118 0.80 HDAC1 (0.35) ALDH1A1MAPTL3MBTL1GABRA1GABRB2
SCHEMBL3950920 0.79 ALDH1A1 (0.62) ALDH1A1MAPTL3MBTL1KDM4ETDP1
SCHEMBL4211551 0.78 MAPT (0.59) ALDH1A1MAPTL3MBTL1KDM4ETDP1
SCHEMBL3950434 0.78 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1KDM4ETDP1
SCHEMBL3941329 0.78 ALDH1A1 (0.58) ALDH1A1MAPTL3MBTL1KDM4ENPC1
SCHEMBL4158477 0.77 MAPT (0.60) ALDH1A1MAPTL3MBTL1KDM4ETDP1
SCHEMBL3950369 0.77 ALDH1A1 (0.55) ALDH1A1MAPTL3MBTL1KDM4ERAB9A
SCHEMBL4199731 0.76 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1HDAC1HDAC6

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