SCHEMBL3662731

SCHEMBL3662731

COC(=O)Oc1c(C)oc(-c2ccccc2)c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 4/20 0.39
HPGD P15428 2/20 0.39
LPAR1 Q92633 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38
ALDH1A1 P00352 5/20 0.37
NR4A2 P43354 3/20 0.37
LMNA P02545 2/20 0.37
PTGS1 P23219 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.35
KMT2A Q03164 5/20 0.35
MAPT P10636 4/20 0.35
HTT P42858 3/20 0.35
APAF1 O14727 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL3666194 0.78 MAPT (0.47) KDM4EHPGDALDH1A1LMNAKMT2A
SCHEMBL6518530 0.77 PTGS1 (0.51) HPGDALDH1A1LMNAPTGS1KMT2A
SCHEMBL17697649 0.68 BACE1 (0.49) HSD17B10KDM4EHPGDALDH1A1KMT2A
SCHEMBL6955861 0.68 ALDH1A1 (0.49) HSD17B10KDM4EHPGDALDH1A1LMNA
SCHEMBL13760654 0.68 MAPT (0.44) HSD17B10KDM4EHPGDALDH1A1NR4A2
SCHEMBL5282842 0.67 L3MBTL1 (0.47) HSD17B10KDM4EHPGDALDH1A1KMT2A
SCHEMBL21587530 0.67 PTGS1 (0.54) HPGDALDH1A1LMNAPTGS1KMT2A
SCHEMBL6938651 0.66 HSD17B10 (0.47) HSD17B10KDM4EHPGDALDH1A1PTGS1
Biphenyl SCHEMBL27492413 0.66 TSHR (0.52) HSD17B10KDM4EHPGDALDH1A1KMT2A
SCHEMBL3667374 0.66 MEN1 (0.40) KDM4EALDH1A1NR4A2LMNAKMT2A

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-2240461-A1 SUBSTITUTED FURANS AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-10-20 EP disclosed
WO-2009097991-A1 SUBSTITUTED FURANS AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-13 WO disclosed