SCHEMBL31929

SCHEMBL31929

COc1ccc(CN2CC(=O)NC2=O)cc1C(=O)NCc1ccc(OC2CCNCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPARA Q07869 10/20 0.42
PPARD Q03181 4/20 0.42
LIPG Q9Y5X9 1/20 0.42
CHRM3 P20309 1/20 0.42
PPARG P37231 3/20 0.40
KDM1A O60341 1/20 0.40
P2RX7 Q99572 1/20 0.39
UTS2R Q9UKP6 1/20 0.39

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
SCHEMBL31932 0.91 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL31970 0.89 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPPARA
SCHEMBL31948 0.82 PPARA (0.58) ALDH1A1SMN1; SMN2PPARAPPARDLIPG
SCHEMBL31881 0.82 PTGER4 (0.51) PPARAPPARDPPARG
SCHEMBL31944 0.81 PPARA (0.47) PDE4APDE4BPDE4CPDE4DPPARA
SCHEMBL31947 0.75 LMNA (0.44) ALDH1A1SMN1; SMN2
SCHEMBL31703 0.74 MRGPRX4 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL31880 0.71 PPARD (0.54) PPARAPPARDLIPGPPARG
SCHEMBL31942 0.70 PTGER4 (0.47) PDE4APDE4BPDE4CPDE4DPPARA
SCHEMBL9165337 0.69 LMNA (0.54) ALDH1A1SMN1; SMN2

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-2012026495-A1 NOVEL HYDANTOIN DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2012-03-01 WO disclosed