SCHEMBL13647142

SCHEMBL13647142

COc1ccc(Br)c2c1C1(CCc3c(Br)ccc(CO)c31)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
ERN1 O75460 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDE5A O76074 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE1C Q14123 1/20 0.31

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
SCHEMBL13999137 0.87 KDM4E (0.49) KDM4ECYP1A2HDAC1HDAC6ERN1
SCHEMBL13647144 0.71 IDO1 (0.41) ALOX15
SCHEMBL7928877 0.69 CYP1A2 (0.42) KDM4ECYP1A2HDAC1HDAC6
SCHEMBL28450996 0.67 CYP1A2 (0.40) KDM4ECYP1A2PDE4A
SCHEMBL28435022 0.67 KDM4E (0.46) KDM4ECYP1A2PDE4APDE4BPDE4C
SCHEMBL19050329 0.66 CYP1A2 (0.36) KDM4ECYP1A2
SCHEMBL19050081 0.66 CYP1A2 (0.36) KDM4ECYP1A2
SCHEMBL29822725 0.65 ALOX15 (0.32) ALOX15
SCHEMBL20152958 0.64 HPGD (0.39) KDM4EALOX15MAPT
SCHEMBL30785796 0.64 HPGD (0.39) KDM4EALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470376-B2 Photochemically active chiral compounds and compositions containing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2008-12-30 US disclosed