SCHEMBL8663545

SCHEMBL8663545

COC(=O)c1cc(C)c(C(=O)OC)c(C(=O)O)c1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.49
ACHE P22303 2/20 0.49
HPGD P15428 2/20 0.46
POLB P06746 5/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
NGFR P08138 1/20 0.40
GAA P10253 2/20 0.40
RECQL P46063 2/20 0.39
NPC1 O15118 1/20 0.39
ABL1 P00519 1/20 0.39
PKM P14618 1/20 0.39
BLM P54132 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
RIN1 Q13671 1/20 0.39

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
SCHEMBL2531336 0.90 CYP3A4 (0.53) CYP3A4ACHEHPGDPOLBKMT2A
SCHEMBL28768602 0.80 CYP3A4 (0.61) CYP3A4ACHEHPGDPOLBKMT2A
SCHEMBL28131729 0.78 CYP3A4 (0.41) CYP3A4ACHEHPGDPOLBKMT2A
SCHEMBL12134840 0.77 POLB (0.49) CYP3A4HPGDPOLBKMT2AMEN1
SCHEMBL12554705 0.77 CYP3A4 (0.52) CYP3A4ACHEHPGDPOLBKMT2A
SCHEMBL15750580 0.76 MEN1 (0.40) CYP3A4ACHEHPGDPOLBKMT2A
SCHEMBL30436363 0.76 MEN1 (0.40) CYP3A4ACHEHPGDPOLBKMT2A
SCHEMBL22644832 0.76 MEN1 (0.49) CYP3A4ACHEHPGDKMT2AMEN1
SCHEMBL4101519 0.76 KDM4E (0.44) CYP3A4ACHEHPGDMAPTALDH1A1
SCHEMBL30182718 0.76 KDM4E (0.44) CYP3A4ACHEHPGDMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0656028-B1 PREPARATION OF VINYL ETHER TERMINATED ESTER OLIGOMERS ALLIED SIGNAL INC (US) 1998-11-04 EP disclosed
EP-0656028-A1 PREPARATION OF VINYL ETHER TERMINATED ESTER OLIGOMERS AlliedSignal Inc. (US) 1995-06-07 EP disclosed
WO-1994004594-A1 PREPARATION OF VINYL ETHER TERMINATED POLYESTERS ALLIED-SIGNAL INC. (US) 1994-03-03 WO disclosed
US-5286835-A Reacting polyol with vinyl ether terminated polybasic ester in presence of transesterification catalyst, separating by-product hydroxy monovinyl ether as formed ALLIED-SIGNAL INC. (US) 1994-02-15 US disclosed