SCHEMBL2052029

SCHEMBL2052029

CCC(=N\OCc1ccccc1)/C(CC)=N/OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
CA2 P00918 5/20 0.43
CA1 P00915 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA9 Q16790 3/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA12 O43570 2/20 0.40
IDO1 P14902 1/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 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
SCHEMBL2052031 1.00 NPC1 (0.44) NPC1RAB9ASMN1; SMN2L3MBTL1CA2
SCHEMBL953785 0.89 CA2 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1CA2
SCHEMBL2047753 0.89 NPC1 (0.43) NPC1RAB9ASMN1; SMN2L3MBTL1CA2
SCHEMBL953786 0.89 CA2 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1CA2
SCHEMBL2047751 0.89 NPC1 (0.43) NPC1RAB9ASMN1; SMN2L3MBTL1CA2
SCHEMBL9898039 0.88 CA2 (0.45) NPC1RAB9ASMN1; SMN2L3MBTL1CA2
SCHEMBL9898038 0.88 CA2 (0.45) NPC1RAB9ASMN1; SMN2L3MBTL1CA2
SCHEMBL2051947 0.85 L3MBTL1 (0.40) NPC1RAB9ASMN1; SMN2L3MBTL1CA2
SCHEMBL2051948 0.85 L3MBTL1 (0.40) NPC1RAB9ASMN1; SMN2L3MBTL1CA2
SCHEMBL9945413 0.82 NPC1 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338544-B2 Polymers functionalized with polyoxime compounds and methods for their manufacture BRIDGESTONE CORPORATION (JP) 2012-12-25 US claimed
US-20110152449-A1 POLYMERS FUNCTIONALIZED WITH POLYOXIME COMPOUNDS AND METHODS FOR THEIR MANUFACTURE BRIDGESTONE CORPORATION (JP) 2011-06-23 US claimed
US-8338544-B2 Polymers functionalized with polyoxime compounds and methods for their manufacture BRIDGESTONE CORPORATION (JP) 2012-12-25 US disclosed
EP-2516475-A1 POLYMERS FUNCTIONALIZED WITH POLYOXIME COMPOUNDS AND METHODS FOR THEIR MANUFACTURE Bridgestone Corporation (JP) 2012-10-31 EP disclosed
US-20110152449-A1 POLYMERS FUNCTIONALIZED WITH POLYOXIME COMPOUNDS AND METHODS FOR THEIR MANUFACTURE BRIDGESTONE CORPORATION (JP) 2011-06-23 US disclosed