SCHEMBL28894232

SCHEMBL28894232

CC(C)(C)c1ccc(OC(=O)/C=C/C(=O)Oc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TRPV1 Q8NER1 4/20 0.51
CYP1A2 P05177 1/20 0.50
ALDH1A1 P00352 3/20 0.49
THRB P10828 1/20 0.49
PRSS1 P07477 1/20 0.47
ACR P10323 1/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47
APEX1 P27695 1/20 0.47

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
SCHEMBL10627816 1.00 MAPT (0.58) MAPTTDP1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL28894237 0.93 MAPT (0.56) MAPTTDP1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL4155998 0.93 MAPT (0.56) MAPTTDP1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL4155991 0.93 MAPT (0.56) MAPTTDP1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL23082317 0.87 TRPV1 (0.67) MAPTTDP1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL4398762 0.86 MAPT (0.56) MAPTTDP1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL34007 0.84 MAPT (0.54) MAPTTDP1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL23082434 0.83 TRPV1 (0.62) MAPTTDP1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL23082360 0.83 TRPV1 (0.62) MAPTTDP1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL47809 0.83 MAPT (0.61) MAPTTDP1L3MBTL1RAB9ASMN1; SMN2

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
CN-115368238-A Novel method for synthesizing trans-olefin by using alpha-aryl diazoacetic acid methyl ester induced by visible light 桂林理工大学 2022-11-22 CN disclosed