SCHEMBL22764010

SCHEMBL22764010

CCCCc1cc(OC)cc(C=O)c1O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.45
ALOX5 P09917 5/20 0.44
PTGS2 P35354 4/20 0.43
PTGES O14684 1/20 0.43
TRIM24 O15164 1/20 0.41
TYR P14679 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
GPR84 Q9NQS5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL13724775 0.85 ALOX5 (0.44) ALOX5PTGS2PTGESTYRGPR84
SCHEMBL5270031 0.84 ALOX5 (0.54) ALOX5PTGS2PTGESTYRGPR84
SCHEMBL13190731 0.81 ALOX5 (0.49) ERN1ALOX5PTGS2TYRGPR84
SCHEMBL27518325 0.81 ERN1 (0.50) ERN1TRIM24TYRTRIM33
SCHEMBL9372668 0.80 ERN1 (0.49) ERN1TRIM24TYRTRIM33
SCHEMBL3967922 0.80 NPC1 (0.44) ERN1ALOX5PTGS2TYRGPR84
SCHEMBL28605004 0.79 ALOX5 (0.54) ALOX5PTGS2PTGESTYRTDP1
SCHEMBL22763890 0.78 ERN1 (0.51) ERN1ALOX5PTGS2TYRTDP1
SCHEMBL27680111 0.78 ERN1 (0.51) ERN1TRIM24TYRTRIM33L3MBTL1
SCHEMBL19216112 0.78 ERN1 (0.56) ERN1ALOX5PTGS2TYR

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
US-20200384450-A1 CATALYSTS AND METHODS FOR EPOXIDE-BASED POLYMERIZATIONS CORNELL UNIVERSITY 2020-12-10 US disclosed