SCHEMBL4792508

SCHEMBL4792508

C=CCCCNc1cc2oc(-c3ccc(Oc4ccc(F)cc4)cc3)c(C(=O)OCC)c2cc1OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.45
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 5/20 0.42
HPGD P15428 5/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 4/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
RCE1 Q9Y256 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX5 P09917 1/20 0.38
PRNP P04156 1/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL4792305 0.96 KDM4E (0.43) PTGS2KDM4EALDH1A1HPGDMEN1
SCHEMBL17922122 0.92 KDM4E (0.44) PTGS2KDM4EALDH1A1HPGDMEN1
SCHEMBL4792510 0.88 MEN1 (0.50) PTGS2KDM4EALDH1A1HPGDMEN1
SCHEMBL4792565 0.87 PTGS2 (0.44) PTGS2KDM4EALDH1A1HPGDMEN1
SCHEMBL4792138 0.84 PTGS2 (0.49) PTGS2KDM4EALDH1A1HPGDMEN1
SCHEMBL4792192 0.84 MEN1 (0.49) PTGS2KDM4EALDH1A1HPGDMEN1
SCHEMBL4792280 0.83 KDM4E (0.40) PTGS2KDM4EALDH1A1HPGDMEN1
SCHEMBL12940322 0.83 PTGS2 (0.42) PTGS2KDM4EALDH1A1HPGDMEN1
SCHEMBL12940320 0.82 PTGS2 (0.55) PTGS2KDM4EALDH1A1HPGDMEN1
SCHEMBL15385011 0.81 KDM4E (0.49) PTGS2KDM4EALDH1A1HPGDMEN1

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
EP-2632261-B1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS INC (US) 2016-07-13 EP disclosed
WO-2012058125-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-03 WO disclosed