SCHEMBL2464261

SCHEMBL2464261

CCCCCCCCCCCCCCCC=Cc1cc(O)cc(O)c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 6/20 0.48
▸ LCK P06239 1/20 0.46
▸ CBS P35520 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ TNNC1 P63316 1/20 0.44
▸ ALOX5 P09917 3/20 0.42

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
SCHEMBL17938805 1.00 PTGS2 (0.48) PTGS2LCKCBSCYP3A4TNNC1
SCHEMBL17938809 1.00 PTGS2 (0.48) PTGS2LCKCBSCYP3A4TNNC1
SCHEMBL17938765 1.00 PTGS2 (0.48) PTGS2LCKCBSCYP3A4TNNC1
SCHEMBL17938807 1.00 PTGS2 (0.48) PTGS2LCKCBSCYP3A4TNNC1
SCHEMBL2370035 1.00 PTGS2 (0.48) PTGS2LCKCBSCYP3A4TNNC1
SCHEMBL16535327 1.00 PTGS2 (0.48) PTGS2LCKCBSCYP3A4TNNC1
SCHEMBL11296037 1.00 PTGS2 (0.48) PTGS2LCKCBSCYP3A4TNNC1
SCHEMBL11296041 1.00 PTGS2 (0.48) PTGS2LCKCBSCYP3A4TNNC1
SCHEMBL17938768 1.00 PTGS2 (0.48) PTGS2LCKCBSCYP3A4TNNC1
SCHEMBL17938820 1.00 PTGS2 (0.48) PTGS2LCKCBSCYP3A4TNNC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9248145-B2 Two alkylresorcinol synthase genes from sorghum; cloning, expression, transformation and characterization THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2016-02-02 — — US disclosed
US-20110225676-A1 Two Novel Alkylresorcinol Synthase Genes from Sorghum; Cloning, Expression, Transformation and Characterization THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2011-09-15 — — US disclosed
WO-2005122670-A2 BIOMONITORED SYNTHESIS ROUTE FOR LARGE SCALE PREPARATION OF CARDOL (BILOBOL) AND 11Δ-CARDOL KARDOL INDÚSTRIA QUÍMICA LTDA. (BR) 2005-12-29 — — WO disclosed
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