SCHEMBL9748635

SCHEMBL9748635

O=C(/C=C\c1cc(OCc2ccccc2)ccc1O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.62
PTPN1 P18031 1/20 0.60
PTGS1 P23219 1/20 0.57
PTGS2 P35354 1/20 0.57
GABRA3 P34903 1/20 0.56
GABRA2 P47869 1/20 0.56
GABRB2 P47870 1/20 0.56
MAOB P27338 3/20 0.56
SLC5A1 P13866 1/20 0.56
SLC5A2 P31639 1/20 0.56
CYSLTR2 Q9NS75 1/20 0.55
CYSLTR1 Q9Y271 1/20 0.55
TYR P14679 1/20 0.53
BACE1 P56817 2/20 0.53
APP P05067 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NR4A2 P43354 1/20 0.51

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
SCHEMBL9748640 1.00 ABCG2 (0.62) ABCG2PTPN1PTGS1PTGS2GABRA3
SCHEMBL344390 0.88 ALDH1A1 (0.63) MAOBSLC5A1SLC5A2BACE1ALDH1A1
SCHEMBL344391 0.88 ALDH1A1 (0.63) MAOBSLC5A1SLC5A2BACE1ALDH1A1
SCHEMBL7196601 0.81 GABRA3 (0.84) ABCG2GABRA3GABRA2GABRB2MAOB
SCHEMBL7196607 0.81 GABRA3 (0.84) ABCG2GABRA3GABRA2GABRB2MAOB
SCHEMBL3046006 0.81 ABCG2 (0.64) ABCG2PTPN1PTGS1PTGS2MAOB
SCHEMBL13029337 0.81 ABCG2 (0.64) ABCG2PTPN1PTGS1PTGS2MAOB
SCHEMBL7046152 0.80 MAOB (0.56) PTGS1PTGS2MAOBLMNA
SCHEMBL16242555 0.80 ABCG2 (0.87) ABCG2MAOBSLC5A1SLC5A2BACE1
SCHEMBL16242554 0.80 ABCG2 (0.87) ABCG2MAOBSLC5A1SLC5A2BACE1

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-5120874-A Process for the preparation of 5-hydroxydiprafenone and its acid addition salts HELOPHARM W. PETRIK GMBH & CO. KG (DE) 1992-06-09 US disclosed
EP-0283540-B1 PROCESS FOR THE PREPARATION OF 5-HYDROXYDIPRAPHENONE AND ITS SALTS WITH ACIDS Helopharm W. Petrik GmbH & Co.KG. (DE) 1991-09-18 EP disclosed