SCHEMBL9745932

SCHEMBL9745932

CCCCCCCCCCc1cc(C)cc(Sc2cc(C)cc(CCCCCCCCCC)c2O)c1O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.46
PTGS2 P35354 6/20 0.46
TYR P14679 2/20 0.46
CYP3A4 P08684 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 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
SCHEMBL9746222 1.00 ALOX5 (0.46) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL9745591 1.00 ALOX5 (0.46) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL3821186 1.00 ALOX5 (0.46) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL4539436 0.93 HTT (0.43) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL7253715 0.86 HPGD (0.39) ALOX5CYP3A4MEN1TP53MAPT
SCHEMBL222792 0.86 TYR (0.55) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL38839 0.86 TYR (0.55) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL29135897 0.86 TYR (0.55) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL224251 0.86 TYR (0.55) ALOX5PTGS2TYRCYP3A4MEN1
SCHEMBL224790 0.86 TYR (0.55) ALOX5PTGS2TYRCYP3A4MEN1

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
EP-0270711-B1 IMPROVED METHOD FOR ROSIN ESTERIFICATION WESTVACO CORPORATION (US) 1992-04-22 EP disclosed