SCHEMBL2525246

SCHEMBL2525246

O=C(Oc1ccccc1O)c1ccc(O)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.61
CA12 O43570 4/20 0.55
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
CA7 P43166 4/20 0.55
CA9 Q16790 4/20 0.55
CA14 Q9ULX7 4/20 0.55
XDH P47989 1/20 0.55
ESR1 P03372 6/20 0.51
ESR2 Q92731 6/20 0.51
KMT2A Q03164 4/20 0.50
GAA P10253 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
HSD17B10 Q99714 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
JAK2 O60674 1/20 0.50
USP2 O75604 1/20 0.50
ALOX15 P16050 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL13286773 0.93 SERPINE1 (0.70) SERPINE1CA12CA1CA2CA7
SCHEMBL688142 0.87 ESR1 (0.62) SERPINE1CA1CA2ESR1ESR2
SCHEMBL689023 0.85 ESR1 (0.62) SERPINE1ESR1ESR2KMT2AGAA
SCHEMBL3005634 0.84 ESR1 (0.57) SERPINE1CA12CA1CA2CA7
SCHEMBL31037701 0.84 SERPINE1 (0.86) SERPINE1XDHESR1ESR2KMT2A
SCHEMBL1455751 0.84 SERPINE1 (0.86) SERPINE1XDHESR1ESR2KMT2A
SCHEMBL9750105 0.82 ALOX5 (0.59) SERPINE1CA12CA1CA2CA7
SCHEMBL10377804 0.81 ESR1 (0.57) SERPINE1CA12CA1CA2CA7
SCHEMBL1918507 0.81 KMT2A (0.71) SERPINE1ESR1ESR2KMT2AGAA
SCHEMBL2277663 0.81 CA12 (0.66) SERPINE1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110252507-A1 TRANSGENIC PLANTS USED AS A BIOREACTOR SYSTEM THE UNIVERSITY OF QUEENSLAND (AU) 2011-10-13 US disclosed
US-7754943-B2 Transgenic plants used as a bioreactor system BSES LIMITED (AU) 2010-07-13 US disclosed
US-20060259998-A1 Transgenic plants used as a bioreactor system BUREAU OF SUGAR EXPERIMENT STATIONS (AU) 2006-11-16 US disclosed
US-4923403-A CULTIVATING RHODOCOCCUS MUTANT ON STEROID-CONTAINING MEDIUM TO PRODUCE PHARMACEUTICAL PRECURSOR SOUTH AFRICAN INVENTIONS DEVELOPMENT CORP. (ZA) 1990-05-08 US disclosed
EP-0172034-A2 Microbiological degradation of steroids SOUTH AFRICAN INVENTIONS DEVELOPMENT CORPORATION (ZA) 1986-02-19 EP disclosed