SCHEMBL8820847

SCHEMBL8820847

CCCCc1cccc(C(=O)OO)c1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.58
PPARG P37231 2/20 0.56
BID P55957 6/20 0.55
MCL1 Q07820 6/20 0.55
BCL2L1 Q07817 5/20 0.55
BAK1 Q16611 5/20 0.55
KAT8 Q9H7Z6 3/20 0.55
SAE1 Q9UBE0 2/20 0.55
EP300 Q09472 2/20 0.55
KAT5 Q92993 2/20 0.55
KAT2A Q92830 1/20 0.55
KAT2B Q92831 1/20 0.55
F7 P08709 3/20 0.48
F3 P13726 3/20 0.48
MMP2 P08253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
ECE1 P42892 1/20 0.48
SGMS1 Q86VZ5 1/20 0.48

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
SCHEMBL587650 0.91 PPARA (0.50) PPARAPPARGBIDMCL1BCL2L1
SCHEMBL8820835 0.88 PPARA (0.55) PPARAPPARGBIDMCL1BCL2L1
SCHEMBL7932923 0.87 BID (0.54) PPARAPPARGBIDMCL1BCL2L1
Benzene SCHEMBL9187610 0.86 BID (0.62) PPARAPPARGBIDMCL1BCL2L1
SCHEMBL409185 0.86 BID (0.62) PPARAPPARGBIDMCL1BCL2L1
SCHEMBL1453318 0.86 TSHR (0.60) PPARAPPARGBIDMCL1BCL2L1
SCHEMBL27925218 0.85 BID (0.57) PPARAPPARGBIDMCL1BCL2L1
SCHEMBL20581428 0.84 BID (0.60) PPARAPPARGBIDMCL1BCL2L1
Water SCHEMBL28136070 0.84 BID (0.60) PPARAPPARGBIDMCL1BCL2L1
SCHEMBL28074250 0.84 BID (0.60) PPARAPPARGBIDMCL1BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997045482-A1 PREPARATION OF ALKYLTHIOPROPIONIC PENTAERYTHRITOL ESTERS HAMPSHIRE CHEMICAL CORP. (US) 1997-12-04 WO disclosed
US-4092470-A SUSPENSION POLYMERIZATION OF VINYL HALIDE AKZONA INCORPORATED (US) 1978-05-30 US disclosed
US-4039475-A Stable, pumpable, aqueous suspensions of organic peroxides AKZONA INCORPORATED (US) 1977-08-02 US disclosed