SCHEMBL17460993

SCHEMBL17460993

C=CCOc1ccc(C(=O)O[C@H]2CC[C@H](c3ccc(OCC=C)cc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.44
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
STS P08842 4/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
BLM P54132 1/20 0.39
GPR35 Q9HC97 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9923605 1.00 NPC1 (0.49) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL7713596 0.87 NPC1 (0.51) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL7711204 0.82 NPC1 (0.47) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL31267768 0.82 CA12 (0.47) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL11127347 0.82 CYP2C9 (0.41) MAPTSMN1; SMN2STSMEN1KMT2A
SCHEMBL11127351 0.82 CYP2C9 (0.41) MAPTSMN1; SMN2STSMEN1KMT2A
SCHEMBL12926231 0.81 MAPT (0.46) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL28510951 0.80 ALDH1A1 (0.47) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL3668448 0.80 NPC1 (0.44) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL3668450 0.80 NPC1 (0.44) NPC1MAPTRAB9ASMN1; SMN2POLB

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
US-9242948-B2 Diepoxy compound, process for producing same, and composition containing the diepoxy compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-01-26 US disclosed