SCHEMBL4764901

SCHEMBL4764901

COc1cccc(S(=O)(=O)N(C(=O)C(CC(C)C)NC(=O)c2oc3ccccc3c2C)[C@H]2CCCNCC2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
KMT2A Q03164 5/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
TP53 P04637 3/20 0.39
MEN1 O00255 4/20 0.38
HSD17B10 Q99714 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 3/20 0.38
TSHR P16473 3/20 0.38
NPSR1 Q6W5P4 3/20 0.36
MITF O75030 1/20 0.36
DHODH Q02127 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL4764900 1.00 MAPT (0.43) MAPTKMT2AKDM4EALDH1A1TP53
SCHEMBL4761995 0.91 MAPT (0.43) MAPTKMT2AKDM4EALDH1A1TP53
SCHEMBL4761996 0.91 MAPT (0.43) MAPTKMT2AKDM4EALDH1A1TP53
SCHEMBL4825088 0.88 L3MBTL1 (0.39) MAPTKMT2AKDM4EALDH1A1TP53
SCHEMBL4825080 0.88 L3MBTL1 (0.39) MAPTKMT2AKDM4EALDH1A1TP53
SCHEMBL4762061 0.87 TAS1R3 (0.47) ALDH1A1LMNARAB9A
SCHEMBL4762063 0.87 TAS1R3 (0.47) ALDH1A1LMNARAB9A
SCHEMBL4768763 0.85 RXFP1 (0.37) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL4770541 0.85 NPC1 (0.36) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL4768759 0.85 RXFP1 (0.37) MAPTKMT2AKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed