SCHEMBL13620733

SCHEMBL13620733

CCc1cc(-c2ccccc2)ccc1-c1ccc(-c2ccc(S)cc2)c(CC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLRE1A Q6PJP8 1/20 0.41
DCLRE1B Q9H816 1/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 1/20 0.40
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
PTGS1 P23219 1/20 0.40
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
XBP1 P17861 1/20 0.40
PTBP1 P26599 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL13620732 0.93 HSD17B1 (0.39) DCLRE1ADCLRE1BMMP2MMP3BCL2
SCHEMBL13061700 0.91 HSD17B1 (0.40) DCLRE1ADCLRE1BCYP1A2PTGS1MMP2
SCHEMBL9618333 0.89 SMN1; SMN2 (0.47) DCLRE1ADCLRE1BMAPTSMN1; SMN2L3MBTL1
Ethylamine SCHEMBL28360153 0.84 DPP4 (0.47) DCLRE1ADCLRE1BMAPTSMN1; SMN2L3MBTL1
SCHEMBL21115988 0.81 HSD17B1 (0.54) CYP1A2PTGS1MEN1HTTRAB9A
SCHEMBL10343741 0.77 DCLRE1B (0.51) DCLRE1ADCLRE1BMAPTSMN1; SMN2L3MBTL1
Ammonia Solution, Strong SCHEMBL4604807 0.75
SCHEMBL10798309 0.75 SMN1; SMN2 (0.40) DCLRE1ADCLRE1BMAPTSMN1; SMN2L3MBTL1
SCHEMBL18674187 0.75 PDE3B (0.46) DCLRE1ADCLRE1BMAPTSMN1; SMN2L3MBTL1
SCHEMBL27747970 0.74 SMN1; SMN2 (0.42) DCLRE1ADCLRE1BMAPTSMN1; SMN2L3MBTL1

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-2009143328-A2 ON WIRE LITHOGRAPHY-BASED MOLECULAR TRANSPORT JUNCTIONS NORTHWESTERN UNIVERSITY (US) 2009-11-26 WO disclosed