SCHEMBL5078445

SCHEMBL5078445

CCCCCCCCCc1cc(C)cc(CCc2cc(C)cc(CCCCCCCCC)c2O)c1O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.53
ALOX5 P09917 9/20 0.53
PTGS2 P35354 6/20 0.53
CYP3A4 P08684 2/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LIPG Q9Y5X9 1/20 0.43

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
SCHEMBL223044 0.98 TYR (0.55) TYRALOX5PTGS2CYP3A4MEN1
SCHEMBL11777749 0.98 TYR (0.55) TYRALOX5PTGS2CYP3A4MEN1
SCHEMBL39849 0.98 TYR (0.55) TYRALOX5PTGS2CYP3A4MEN1
SCHEMBL222792 0.98 TYR (0.55) TYRALOX5PTGS2CYP3A4MEN1
SCHEMBL224251 0.98 TYR (0.55) TYRALOX5PTGS2CYP3A4MEN1
SCHEMBL29135897 0.98 TYR (0.55) TYRALOX5PTGS2CYP3A4MEN1
SCHEMBL222152 0.98 TYR (0.55) TYRALOX5PTGS2CYP3A4MEN1
SCHEMBL224790 0.98 TYR (0.55) TYRALOX5PTGS2CYP3A4MEN1
SCHEMBL38839 0.98 TYR (0.55) TYRALOX5PTGS2CYP3A4MEN1
SCHEMBL11775837 0.96 ALOX5 (0.53) TYRALOX5PTGS2CYP3A4MEN1

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
CN-117120454-A Phosphite compound, process for producing the same, and use thereof 住友化学株式会社 2023-11-24 CN disclosed
US-20080161454-A1 Stabilization Of Polyol Or Polyurethane Compositions Against Thermal Oxidation CIBA SPECIALTY CHEMICALS CORP. 2008-07-03 US disclosed