SCHEMBL13810083

SCHEMBL13810083

O=C(C1C=C(C2CCOCC2)SC1)N1CCCC2CCCCC21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SCD5 Q86SK9 1/20 0.36
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
HSD11B1 P28845 7/20 0.32
HSD17B1 P14061 1/20 0.32
CNR2 P34972 1/20 0.31

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
SCHEMBL13809768 0.90 NPC1 (0.40) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL13810082 0.86 NPC1 (0.38) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL13809994 0.86 HSD11B1 (0.40) NPC1RAB9ASMN1; SMN2SCD5POLB
SCHEMBL13809989 0.85 NPC1 (0.37) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL13810098 0.85 HSD11B1 (0.36) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL13810272 0.84 ALOX15 (0.40) NPC1SMN1; SMN2DRD2DRD4HSD11B1
SCHEMBL13809787 0.83 NPC1 (0.36) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL13810079 0.83 NPC1 (0.36) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL13809780 0.83 POLB (0.38) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL13809743 0.83 HPGD (0.42) NPC1RAB9ASMN1; SMN2POLBPRMT5

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
US-8795960-B2 Optimization of gene expression analysis using immobilized capture probes BIOARRAY SOLUTIONS, LTD. (US) 2014-08-05 US disclosed
WO-2009074789-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE AS 11-BETA-HSD1 INHIBITORS THE UNIVERSITY OF EDINBURGH (GB) 2009-06-18 WO disclosed