SCHEMBL7418596

SCHEMBL7418596

CCCc1c(C(=O)C(C)C)c2ccc(C(N)=O)cc2n1Cc1ccc(C(=O)OC)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
TP53 P04637 2/20 0.38
S1PR3 Q99500 4/20 0.37
USP14 P54578 1/20 0.35
ALOX5AP P20292 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
BUB1 O43683 1/20 0.34
DPP4 P27487 1/20 0.34
TLR8 Q9NR97 4/20 0.34
TLR7 Q9NYK1 4/20 0.34
KDM4E B2RXH2 1/20 0.33
PLA2G2A P14555 1/20 0.33

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
SCHEMBL7421260 0.91 S1PR3 (0.40) MAPTTP53S1PR3USP14PPARG
SCHEMBL7425988 0.90 AGTR1 (0.36) ALOX5APALDH1A1PLA2G2A
SCHEMBL7420228 0.89 MAPT (0.38) MAPTTP53S1PR3USP14PPARG
SCHEMBL7428559 0.89 TP53 (0.50) MAPTTP53S1PR3
SCHEMBL7420996 0.89 LMNA (0.40) MAPTTP53ALOX5APPPARGALDH1A1
SCHEMBL7425401 0.88 MAPT (0.43) MAPTTP53S1PR3ALOX5APPPARG
SCHEMBL7425567 0.87 ALOX5AP (0.36) ALOX5APPPARGDPP4PLA2G2A
SCHEMBL7472730 0.87 MEN1 (0.39) MAPTTP53ALOX5AP
SCHEMBL29611861 0.86 ALOX5AP (0.47) TP53ALOX5APPPARGALDH1A1CYP1A2
SCHEMBL687131 0.86 ALOX5AP (0.47) TP53ALOX5APPPARGALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820441-B1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-06-26 EP disclosed
US-6069156-A Indole derivatives as cGMP-PDE inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-30 US disclosed
CN-1187812-A Indole derivatives as CGMP-PDE inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 1998-07-15 CN disclosed
EP-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed
WO-1996032379-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-17 WO disclosed