SCHEMBL3976602

SCHEMBL3976602

COc1ccc(COC(=O)/C(=C\c2ccccc2)C(=O)C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.46
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.42
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
P2RX4 Q99571 1/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
LDHA P00338 1/20 0.40
MIF P14174 1/20 0.40

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
SCHEMBL13885725 1.00 NR1H4 (0.53) NR1H4MEN1KMT2AATMFABP7
SCHEMBL3976603 1.00 NR1H4 (0.53) NR1H4MEN1KMT2AATMFABP7
SCHEMBL4142682 0.90 NR1H4 (0.56) NR1H4MEN1KMT2AALDH1A1LMNA
SCHEMBL4142686 0.90 NR1H4 (0.56) NR1H4MEN1KMT2AALDH1A1LMNA
SCHEMBL1633388 0.79 MEN1 (0.79) NR1H4MEN1KMT2AATMALDH1A1
SCHEMBL1634878 0.79 MEN1 (0.79) NR1H4MEN1KMT2AATMALDH1A1
SCHEMBL915484 0.77 MEN1 (0.51) MEN1KMT2AHPGDMAPT
SCHEMBL915483 0.77 MEN1 (0.51) MEN1KMT2AHPGDMAPT
SCHEMBL1521953 0.77 LTA4H (0.58) ATMFABP7FABP5ALDH1A1ACHE
SCHEMBL28187086 0.76 NR1H4 (0.52) NR1H4ATMFABP7FABP5ALDH1A1

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-2009054693-A2 PROCESS FOR THE PREPARATION OF ATORVASTATIN DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-04-30 WO disclosed