SCHEMBL29929370

SCHEMBL29929370

CCCCCCC/C=C/C(=O)/C=C/c1ccc(O)c(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.69
CYP1A2 P05177 3/20 0.69
ALOX5 P09917 3/20 0.69
NFKB1 P19838 2/20 0.69
HSD11B1 P28845 2/20 0.69
STAT3 P40763 2/20 0.69
NFKB2 Q00653 2/20 0.69
RELA Q04206 2/20 0.69
NFE2L2 Q16236 2/20 0.69
HTR1A P08908 4/20 0.61
FGFR1 P11362 1/20 0.61
CYP2C9 P11712 3/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2B6 P20813 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP2E1 P05181 1/20 0.60
LTA4H P09960 1/20 0.60
CYP2C8 P10632 1/20 0.60
CYP2A6 P11509 1/20 0.60
TRPV1 Q8NER1 1/20 0.60

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
SCHEMBL30334920 1.00 CYP2D6 (0.69) CYP2D6CYP1A2ALOX5NFKB1HSD11B1
SCHEMBL29929008 1.00 CYP2D6 (0.69) CYP2D6CYP1A2ALOX5NFKB1HSD11B1
SCHEMBL5702708 1.00 CYP2D6 (0.69) CYP2D6CYP1A2ALOX5NFKB1HSD11B1
SCHEMBL30335087 1.00 CYP2D6 (0.69) CYP2D6CYP1A2ALOX5NFKB1HSD11B1
SCHEMBL17527415 0.99 CYP2D6 (0.71) CYP2D6CYP1A2ALOX5NFKB1HSD11B1
SCHEMBL17527436 0.99 CYP2D6 (0.71) CYP2D6CYP1A2ALOX5NFKB1HSD11B1
SCHEMBL30240162 0.86 HTR1A (0.57) CYP2D6CYP1A2ALOX5NFKB1HSD11B1
SCHEMBL14035475 0.85 CYP2D6 (0.81) CYP2D6CYP1A2ALOX5NFKB1HSD11B1
SCHEMBL21133741 0.85 APP (0.64) ALOX5NFKB1CYP2C9CYP3A4APP
SCHEMBL28683535 0.85 CYP2D6 (0.81) CYP2D6CYP1A2ALOX5NFKB1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240315965-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2024-09-26 US claimed
WO-2022182527-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2022-09-01 WO claimed
US-20240315965-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2024-09-26 US disclosed
WO-2022182527-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2022-09-01 WO disclosed