SCHEMBL8555053

SCHEMBL8555053

C=CCc1cc(C(=O)O)cc2[nH]c(CCC)c(C(=O)C(C)C)c12

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PSMD14 O00487 1/20 0.32
RECQL P46063 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PPARA Q07869 1/20 0.32
MAPK1 P28482 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8556176 0.88 MEN1 (0.42) PPARGALDH1A1PPARAMAPK1KMT2A
SCHEMBL7422734 0.77 KDM4E (0.44) PPARGTDP1KDM4EPSMD14RECQL
SCHEMBL8558625 0.74 MEN1 (0.38) ALDH1A1MAPTKMT2AMEN1
SCHEMBL8555826 0.70 KMT2A (0.44) PPARGKDM4EALDH1A1TP53KMT2A
SCHEMBL7710517 0.69 PPARG (0.38) PPARGPPARAKMT2AMEN1ATM
SCHEMBL7424222 0.67 HSD17B10 (0.43) TDP1KDM4EPSMD14RECQLRXFP1
SCHEMBL27483791 0.65 KDM4E (0.46) PPARGTDP1KDM4EPSMD14RECQL
SCHEMBL8558633 0.65 ALOX5 (0.40) ALDH1A1MAPT
SCHEMBL7422800 0.65 KMT2A (0.58) KDM4EALDH1A1KMT2AMEN1ATM
SCHEMBL7461274 0.64 KDM4E (0.42) PPARGTDP1KDM4EPSMD14RECQL

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
EP-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed