SCHEMBL508104

SCHEMBL508104

CCCCCC(=O)c1ccc(/N=N/c2ccc(OCC)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.69
L3MBTL1 Q9Y468 2/20 0.57
HRH2 P25021 3/20 0.55
HRH1 P35367 3/20 0.55
HSD17B3 P37058 6/20 0.54
STS P08842 4/20 0.53
THRA P10827 2/20 0.52
THRB P10828 2/20 0.52
MMP1 P03956 1/20 0.51

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
SCHEMBL508105 1.00 NPC1 (0.69) NPC1L3MBTL1HRH2HRH1HSD17B3
SCHEMBL19043463 0.91 NPC1 (0.83) NPC1L3MBTL1HRH2HRH1HSD17B3
SCHEMBL11263173 0.90 NPC1 (0.81) NPC1L3MBTL1HRH2HRH1HSD17B3
SCHEMBL8404991 0.83 KMT2A (0.50) NPC1L3MBTL1
SCHEMBL11628115 0.83 NPC1 (0.69) NPC1L3MBTL1HRH2HRH1HSD17B3
SCHEMBL8404989 0.83 KMT2A (0.50) NPC1L3MBTL1
SCHEMBL28413264 0.82 STS (0.53) NPC1L3MBTL1HRH2HRH1HSD17B3
SCHEMBL28414791 0.82 STS (0.53) NPC1L3MBTL1HRH2HRH1HSD17B3
SCHEMBL18806573 0.82 HSD17B3 (0.60) NPC1L3MBTL1HSD17B3STSTHRA
SCHEMBL11672253 0.82 KMT2A (0.52) NPC1L3MBTL1

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-8435333-B2 Photo-switchable membrane and method UNIVERSITY OF ROCHESTER (US) 2013-05-07 US disclosed
US-20120025136-A1 PHOTO-SWITCHABLE MEMBRANE AND METHOD UNIVERSITY OF ROCHESTER (US) 2012-02-02 US disclosed