SCHEMBL5169129

SCHEMBL5169129

CC(OCC1CCCCC1)C(=O)c1ccc(CCC(C)(N)CO)s1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 4/20 0.34
SLC1A2 P43004 4/20 0.34
SLC1A1 P43005 4/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
FFAR1 O14842 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
PPM1D O15297 1/20 0.30
KLK7 P49862 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
SCHEMBL5166076 0.80 SPHK1 (0.34) NPC1TP53HPGDTSHRRAB9A
SCHEMBL7048592 0.77 FFAR1 (0.31) SLC1A3SLC1A2SLC1A1FFAR1
SCHEMBL386150 0.77 POLB (0.37) NPC1TP53HPGDTSHRRAB9A
SCHEMBL386928 0.76 TDP1 (0.39) NPC1TP53HPGDTSHRRAB9A
SCHEMBL5167809 0.75 TDP1 (0.40) NPC1TP53HPGDTSHRRAB9A
SCHEMBL6305682 0.75 SPHK1 (0.34)
SCHEMBL5169026 0.73 HPGD (0.35) NPC1TP53HPGDTSHRRAB9A
SCHEMBL385547 0.72 CEL (0.39)
SCHEMBL5166844 0.71 POLB (0.34) NPC1TP53HPGDTSHRRAB9A
SCHEMBL6310394 0.71 CEL (0.38)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 EP claimed
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 EP disclosed