SCHEMBL17690757

SCHEMBL17690757

CC1CN(C(=O)C(=O)N2CCCC3CCCCC32)C[C@@H](C)O1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 3/20 0.40
POLB P06746 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD11B1 P28845 3/20 0.38
HSD17B1 P14061 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR2 P34972 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL12986681 1.00 HSD17B10 (0.40) HSD17B10NPC1POLBRAB9ASMN1; SMN2
SCHEMBL770405 1.00 HSD17B10 (0.40) HSD17B10NPC1POLBRAB9ASMN1; SMN2
SCHEMBL771735 0.84 NPC1 (0.40) NPC1POLBRAB9ASMN1; SMN2TDP1
SCHEMBL12985587 0.82 ALDH1A1 (0.41) NPC1POLBRAB9ASMN1; SMN2TDP1
SCHEMBL769908 0.82 ALDH1A1 (0.41) NPC1POLBRAB9ASMN1; SMN2TDP1
SCHEMBL770763 0.80 NPC1 (0.53) NPC1POLBRAB9ASMN1; SMN2TDP1
SCHEMBL771126 0.80 NPC1 (0.41) NPC1POLBALDH1A1L3MBTL1HPGD
SCHEMBL12984520 0.80 NPC1 (0.41) NPC1POLBALDH1A1L3MBTL1HPGD
SCHEMBL770536 0.78 NPC1 (0.45) NPC1POLBRAB9ASMN1; SMN2TDP1
SCHEMBL771477 0.77 HSD11B1 (0.44) HSD17B10NPC1POLBRAB9ASMN1; SMN2

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
EP-2439202-B1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 SALVAT LAB SA (ES) 2016-04-20 EP disclosed