SCHEMBL1932507

SCHEMBL1932507

CC(=O)c1c(O)cc(O)c(CCC(C)C)c1O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 2/20 0.55
▸ ALOX5 P09917 2/20 0.55
▸ PTGS1 P23219 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ FFAR1 O14842 3/20 0.46
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMPD1 P17405 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PRKCI P41743 1/20 0.39
▸ CACNA1H O95180 1/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ FBP1 P09467 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL13893459 0.78 PTGES (0.54) PTGESALOX5PTGS1PTGS2FFAR1
SCHEMBL9752680 0.77 CYP19A1 (0.51) PTGESALOX5PTGS1PTGS2FFAR1
SCHEMBL31040534 0.77 FFAR1 (0.59) PTGESALOX5PTGS1PTGS2FFAR1
SCHEMBL31040527 0.77 FFAR1 (0.59) PTGESALOX5PTGS1PTGS2FFAR1
SCHEMBL9578138 0.76 CTSL (0.57) FFAR1MEN1KMT2ACYP3A4HPGD
SCHEMBL9578114 0.75 CYP3A4 (0.54) ALOX5KMT2ASMPD1CYP3A4USP2
SCHEMBL9578260 0.74 CYP19A1 (0.46) ALOX5FFAR1MEN1KMT2ACYP3A4
SCHEMBL10713091 0.74 CYP3A4 (0.58) ALOX5MEN1KMT2ACYP3A4HPGD
SCHEMBL10713085 0.74 CYP3A4 (0.58) ALOX5MEN1KMT2ACYP3A4HPGD
SCHEMBL4487600 0.73 ALDH1A1 (0.47) MEN1KMT2ASMPD1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130447-A1 Production of hop extracts having oestrogenic and antiproliferative bioactivity MAES FRANCIS 2011-06-02 — — US disclosed
EP-1727555-B1 PRODUCTION OF HOP EXTRACTS HAVING OESTROGENIC AND ANTIPROLIFERATIVE BIOACTIVITY METAGENICS BELGIUM BVBA (BE) 2009-04-29 — — EP disclosed
US-20070110835-A1 Method for the production of enriched hop extracts having combined oestrogenic and antiproliferative bioactivity METAGENICS BELGIUM BVBA (BE) 2007-05-17 — — US disclosed
EP-1727555-A1 PRODUCTION OF HOP EXTRACTS HAVING OESTROGENIC AND ANTIPROLIFERATIVE BIOACTIVITY Biodynamics (BE) 2006-12-06 — — EP disclosed
WO-2005058336-A1 PRODUCTION OF HOP EXTRACTS HAVING OESTROGENIC AND ANTIPROLIFERATIVE BIOACTIVITY BIODYNAMICS (BE) 2005-06-30 — — WO disclosed
EP-1543834-A1 Production of hop extracts having oestrogenic and antiproliferative bioactivity Biodynamics (BE) 2005-06-22 — — EP disclosed
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