SCHEMBL6984136

SCHEMBL6984136

CC(C)(C)OC(=O)COc1ccc2oc(C(=O)OCc3ccccc3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.51
LMNA P02545 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 8/20 0.46
HPGD P15428 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
AKR1B1 P15121 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
PIM1 P11309 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL6984795 0.84 PIM1 (0.55) POLBLMNAKDM4EMAPTHPGD
SCHEMBL7410741 0.81 AKR1B1 (0.47) LMNAKDM4EMAPTHPGDKMT2A
SCHEMBL3618447 0.79 MAOB (0.62) KDM4EMAPTKMT2AMEN1L3MBTL1
SCHEMBL1968491 0.79 KMT2A (0.55) LMNAKDM4EMAPTHPGDKMT2A
SCHEMBL18703879 0.78 MAOB (0.52) LMNAKDM4EMAPTKMT2AMEN1
SCHEMBL20759007 0.78 KMT2A (0.50) POLBLMNAKDM4EMAPTHPGD
SCHEMBL2082963 0.76 SLC16A3 (0.59) POLBLMNAKDM4EKMT2AMEN1
SCHEMBL6985338 0.76 AKR1B1 (0.66) LMNAKDM4EMAPTHPGDKMT2A
SCHEMBL23397123 0.75 P4HTM (0.52) POLBLMNAKDM4EMAPTKMT2A
SCHEMBL8717367 0.75 KMT2A (0.55) LMNAKDM4EMAPTHPGDCYP2C19

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
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP disclosed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO disclosed