SCHEMBL6981476

SCHEMBL6981476

COC(=O)c1ccc2oc(C(=O)OCc3ccccc3)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
AKR1B1 P15121 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 4/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 4/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45

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
SCHEMBL8717367 0.92 KMT2A (0.55) MAPTAKR1B1HTTRAB9AKMT2A
SCHEMBL6622934 0.88 MAPT (0.53) MAPTAKR1B1HTTRAB9AKMT2A
SCHEMBL7410741 0.87 AKR1B1 (0.47) MAPTAKR1B1HTTRAB9AKMT2A
SCHEMBL8712740 0.86 KMT2A (0.54) MAPTAKR1B1HTTRAB9AKMT2A
SCHEMBL8716852 0.83 MAPT (0.59) MAPTRAB9AKMT2AMEN1NPC1
SCHEMBL6985338 0.83 AKR1B1 (0.66) MAPTAKR1B1HTTKMT2AALDH1A1
SCHEMBL6622094 0.81 TP53 (0.60) MAPTRAB9AKMT2AMEN1NPC1
SCHEMBL21187892 0.81 MAPT (0.68) MAPTAKR1B1HTTRAB9AKMT2A
SCHEMBL22479063 0.81 PIM1 (0.60) MAPTAKR1B1HTTRAB9AKMT2A
SCHEMBL22479070 0.81 AKR1B1 (0.53) MAPTAKR1B1HTTKMT2AALDH1A1

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

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