SCHEMBL7946774

SCHEMBL7946774

C=CCCC(CCC)NC(=O)CN(C(=O)C(=O)C1CNc2cc(OC)ccc21)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.35
TAS1R3 Q7RTX0 5/20 0.34
TAS1R1 Q7RTX1 5/20 0.34
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
USP2 O75604 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
UBE2M P61081 1/20 0.30
DCUN1D1 Q96GG9 1/20 0.30

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
SCHEMBL7947322 0.79 ALDH1A1 (0.40) SLC6A9ALDH1A1KDM4EHPGDTSHR
SCHEMBL7979068 0.78 PDE2A (0.40) SLC6A9ALDH1A1KDM4EHPGDTSHR
SCHEMBL7985982 0.77 KMT2A (0.40) SLC6A9ALDH1A1KDM4EHPGDUSP2
SCHEMBL7951889 0.72 KMT2A (0.41) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL7947094 0.72 POLB (0.37) ALDH1A1KDM4ENPSR1MAPTPOLB
SCHEMBL7945535 0.71 KDM4E (0.41) ALDH1A1KDM4ETSHRNPSR1MAPT
SCHEMBL7948016 0.70 POLB (0.38) SLC6A9ALDH1A1KDM4ENPSR1MAPT
SCHEMBL7948614 0.68 POLB (0.40) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL7946743 0.68 MITF (0.45) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL7951886 0.68 MITF (0.45) ALDH1A1KDM4EHPGDNPSR1MAPT

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-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed