SCHEMBL7400973

SCHEMBL7400973

COCCOCCOCCOc1ccc2c(O)c(C(c3cccc(NC(=O)OCc4ccccc4)c3)C3CC3)c(=O)oc2c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.40
MAOA P21397 4/20 0.40
MAP1LC3B Q9GZQ8 2/20 0.40
MAP1LC3A Q9H492 2/20 0.40
PPARG P37231 1/20 0.38
NQO1 P15559 1/20 0.38
ACHE P22303 2/20 0.37
KDM1A O60341 1/20 0.37
KDM1B Q8NB78 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37

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
SCHEMBL7400115 0.82 ACHE (0.40) MAP1LC3BMAP1LC3ANQO1ACHE
SCHEMBL7403592 0.81 NQO1 (0.36) MAP1LC3BMAP1LC3ANQO1ACHE
SCHEMBL7407303 0.81 PPARG (0.41) MAOAPPARGKDM1AKDM1BRCOR1
SCHEMBL7403782 0.79 PPARG (0.38) MAOAPPARGKDM1AKDM1BRCOR1
SCHEMBL7400677 0.78 ROCK2 (0.35) ACHE
SCHEMBL7405459 0.78 HDAC1 (0.34) MAP1LC3BMAP1LC3ANQO1ACHE
SCHEMBL7405503 0.77 FABP1 (0.44) MAP1LC3BMAP1LC3A
SCHEMBL7405458 0.77 SIGMAR1 (0.36) ACHE
SCHEMBL7354182 0.76 NQO1 (0.42) MAOBNQO1
SCHEMBL7402962 0.76 MGLL (0.46) MAOAPPARGKDM1AKDM1BRCOR1

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
US-6169181-B1 HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITORS PHARMACIA & UPJOHN COMPANY 2001-01-02 US disclosed
US-5852195-A Pyranone compounds useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1998-12-22 US disclosed
EP-0758327-A1 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1997-02-19 EP disclosed
WO-1995030670-A2 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-16 WO disclosed