SCHEMBL29135897

SCHEMBL29135897

CCCCCCCCCCCCCCCCCCCCCCCCCCCCc1cc(C)cc(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.55
PTGS2 P35354 7/20 0.54
ALOX5 P09917 6/20 0.54
CYP3A4 P08684 3/20 0.52
TP53 P04637 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LIPG Q9Y5X9 1/20 0.44
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44

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
SCHEMBL39849 1.00 TYR (0.55) TYRPTGS2ALOX5CYP3A4TP53
SCHEMBL222152 1.00 TYR (0.55) TYRPTGS2ALOX5CYP3A4TP53
SCHEMBL11777749 1.00 TYR (0.55) TYRPTGS2ALOX5CYP3A4TP53
SCHEMBL223044 1.00 TYR (0.55) TYRPTGS2ALOX5CYP3A4TP53
SCHEMBL224251 1.00 TYR (0.55) TYRPTGS2ALOX5CYP3A4TP53
SCHEMBL38839 1.00 TYR (0.55) TYRPTGS2ALOX5CYP3A4TP53
SCHEMBL222792 1.00 TYR (0.55) TYRPTGS2ALOX5CYP3A4TP53
SCHEMBL224790 1.00 TYR (0.55) TYRPTGS2ALOX5CYP3A4TP53
SCHEMBL5078445 0.98 TYR (0.53) TYRPTGS2ALOX5CYP3A4TP53
SCHEMBL11775837 0.98 ALOX5 (0.53) TYRPTGS2ALOX5CYP3A4TP53

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-117320678-A Phospholipids as anionic chelators in pharmaceutical formulations R·P·谢勒技术有限公司 2023-12-29 CN disclosed