SCHEMBL2576194

SCHEMBL2576194

COC(=O)C=Cc1ccc(OC)c2oc3cncnc3c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
CYP1A2 P05177 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 3/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EPHX2 P34913 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A1 P04798 2/20 0.34

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
SCHEMBL75224 0.77 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL73148 0.74 MAPT (0.38) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7703616 0.74 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL73387 0.73 KDM4E (0.36) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2556731 0.72 CCNC (0.42) FDPSKMT2AMAPTCYP1A2MEN1
SCHEMBL2560821 0.71 HPGD (0.41) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL2562773 0.71 HPGD (0.41) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL74891 0.71 PDE4D (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL2563005 0.69 CCNC (0.42) FDPSKMT2AALDH1A1MAPTCYP1A2
SCHEMBL7709222 0.69 SMN1; SMN2 (0.41) PDE4APDE4BPDE4CPDE4DKMT2A

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-2011132051-A2 TRICYCLE COMPOUNDS AS PHOSPHODIESTERASE-10 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-10-27 WO disclosed