SCHEMBL7419644

SCHEMBL7419644

CCC(OC(C)=O)c1c(C(=O)C(C)C)c2ccc(C(=O)OC)cc2n1Cc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 11/20 0.44
MAPT P10636 4/20 0.40
TP53 P04637 1/20 0.40
DPP4 P27487 1/20 0.40
PPARG P37231 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.37
PLA2G2A P14555 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
SCHEMBL7468891 0.83 MAPT (0.44) S1PR3MAPTTP53DPP4PPARG
SCHEMBL7471087 0.83 L3MBTL1 (0.49) S1PR3MAPTTP53DPP4PPARG
SCHEMBL7425401 0.82 MAPT (0.43) S1PR3MAPTTP53DPP4PPARG
SCHEMBL8557370 0.82 TP53 (0.43) S1PR3MAPTTP53DPP4ALDH1A1
SCHEMBL7418990 0.82 MAPT (0.44) S1PR3MAPTTP53DPP4PPARG
SCHEMBL7415932 0.81 MAPT (0.43) S1PR3MAPTTP53DPP4ALDH1A1
SCHEMBL7418494 0.79 MAPT (0.44) S1PR3MAPTTP53DPP4ALDH1A1
SCHEMBL7476760 0.79 MAPT (0.44) S1PR3MAPTTP53DPP4ALDH1A1
SCHEMBL7415958 0.78 ALOX5AP (0.43) S1PR3TP53DPP4PPARGALDH1A1
SCHEMBL7419090 0.78 L3MBTL1 (0.47) S1PR3MAPTTP53DPP4ALDH1A1

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-6358992-B1 Method of inhibiting neoplastic cells with indole derivatives CELL PATHWAYS, INC. 2002-03-19 US disclosed
US-6069156-A Indole derivatives as cGMP-PDE inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-30 US 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