SCHEMBL5072219

SCHEMBL5072219

CCCCCCCCCCCCCCCCc1cc(C(=O)OC)ccc1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.53
ALDH1A1 P00352 9/20 0.53
HPGD P15428 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 3/20 0.52
HSD17B10 Q99714 3/20 0.50
GLA P06280 2/20 0.50
GAA P10253 2/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
ATM Q13315 1/20 0.50
MGLL Q99685 4/20 0.48
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ERAP2 Q6P179 2/20 0.44
LNPEP Q9UIQ6 2/20 0.44
CYP4F2 P78329 1/20 0.44

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
SCHEMBL7064779 1.00 KDM4E (0.53) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL3517818 1.00 KDM4E (0.53) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL1935282 1.00 KDM4E (0.53) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL1935283 0.92 PPARA (0.49) ALDH1A1MAPTKMT2APPARGPPARA
SCHEMBL421539 0.90 ALDH1A1 (0.47) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL26239641 0.88 MGLL (0.50) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL35610 0.85 MGLL (0.48) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL15173906 0.85 MGLL (0.54) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL11419358 0.85 CYP4A11 (0.59) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL8372362 0.84 PRSS1 (0.42) ALDH1A1MAPTKMT2APPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP disclosed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO disclosed