SCHEMBL2468062

SCHEMBL2468062

CCCCCCCCCCCCCC=CC=Cc1cc(O)cc(O)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 1/20 0.45
▸ PTGS2 P35354 5/20 0.44
▸ CBS P35520 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ALOX5 P09917 2/20 0.40

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
SCHEMBL3409009 1.00 FASN (0.45) FASNPTGS2CBSLCKCYP3A4
SCHEMBL3740076 1.00 FASN (0.45) FASNPTGS2CBSLCKCYP3A4
SCHEMBL2467060 0.98 ALDH1A1 (0.44) FASNPTGS2CBSLCKCYP3A4
SCHEMBL904357 0.98 ALDH1A1 (0.44) FASNPTGS2CBSLCKCYP3A4
SCHEMBL17938809 0.88 PTGS2 (0.48) PTGS2CBSLCKCYP3A4ALOX5
SCHEMBL11296037 0.88 PTGS2 (0.48) PTGS2CBSLCKCYP3A4ALOX5
SCHEMBL17938768 0.88 PTGS2 (0.48) PTGS2CBSLCKCYP3A4ALOX5
SCHEMBL17938807 0.88 PTGS2 (0.48) PTGS2CBSLCKCYP3A4ALOX5
SCHEMBL2464261 0.88 PTGS2 (0.48) PTGS2CBSLCKCYP3A4ALOX5
SCHEMBL16535327 0.88 PTGS2 (0.48) PTGS2CBSLCKCYP3A4ALOX5

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
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
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