SCHEMBL8327175

SCHEMBL8327175

CCc1ccc(-c2cc(=O)c3c(C)cc(OCC(=O)N(C)C)cc3o2)cc1OC1CC2CCC2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
POLB P06746 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
MAPT P10636 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38
BCHE P06276 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
SCHEMBL8356014 0.82 CYP1B1 (0.53) POLBALDH1A1CYP1A2MAPTMEN1
SCHEMBL8325336 0.74 XDH (0.48) MAPTEGFRRETKDRNPSR1
SCHEMBL7310036 0.74 CYP1B1 (0.55) POLBALDH1A1CYP1A2MAPTMEN1
SCHEMBL7303648 0.72 CYP1B1 (0.51) POLBALDH1A1CYP1A2MAPTMEN1
SCHEMBL7304881 0.68 CYP1B1 (0.53) POLBALDH1A1CYP1A2MAPTMEN1
SCHEMBL7307391 0.68 CYP1B1 (0.53) POLBALDH1A1CYP1A2MAPTMEN1
SCHEMBL7310271 0.67 EGFR (0.57) EGFR
SCHEMBL7306885 0.67 CYP1B1 (0.54) CYP3A4KDM4EHPGDPOLBCYP2C9
SCHEMBL7309697 0.66 CYP1B1 (0.58) POLBALDH1A1CYP1A2MAPTMEN1
SCHEMBL7317399 0.66 EGFR (0.52) EGFR

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
WO-2004047817-A1 PDE4 AND PDE3/4 INHIBITORS FOR USE IN THE TREATMENT OF CACHEXIA ALTANA PHARMA AG (DE) 2004-06-10 WO disclosed