SCHEMBL8680472

SCHEMBL8680472

CC(=COCCc1cccc(C(=O)O)c1C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.42
PPARA Q07869 3/20 0.38
PPARG P37231 2/20 0.38
HMGB1 P09429 1/20 0.36
BID P55957 6/20 0.36
MCL1 Q07820 6/20 0.36
BCL2L1 Q07817 5/20 0.36
BAK1 Q16611 5/20 0.36
KAT8 Q9H7Z6 2/20 0.36
SAE1 Q9UBE0 2/20 0.36
EP300 Q09472 1/20 0.36
KAT2A Q92830 1/20 0.36
KAT2B Q92831 1/20 0.36
KAT5 Q92993 1/20 0.36
MMP2 P08253 2/20 0.34
F7 P08709 2/20 0.34
F3 P13726 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL29022995 0.81 FOLH1 (0.43) FOLH1PPARAPPARGHMGB1BID
SCHEMBL9011107 0.78 FOLH1 (0.49) FOLH1PPARAPPARGHMGB1BID
SCHEMBL5586575 0.77 KDM4E (0.48) MCL1KDM4E
SCHEMBL8683244 0.76 FOLH1 (0.35) FOLH1PPARAPPARGHMGB1KDM4E
SCHEMBL7201890 0.76 FOLH1 (0.47) FOLH1PPARAPPARGHMGB1BID
SCHEMBL22912 0.75 FOLH1 (0.59) FOLH1PPARAPPARGHMGB1BID
SCHEMBL2598254 0.74 FOLH1 (0.43) FOLH1PPARAPPARGHMGB1BID
SCHEMBL36344 0.74 POLB (0.43) FOLH1PPARAPPARGHMGB1BID
SCHEMBL1901807 0.73 ALDH1A1 (0.47) HSD17B10
SCHEMBL31319546 0.73 BID (0.53) FOLH1PPARAPPARGHMGB1BID

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
WO-1998001479-A1 RADIATION CURABLE RESIN COMPOSITION FOR MOLDING BY POLYMERIZATION IN DIES DSM N.V. (NL) 1998-01-15 WO disclosed