SCHEMBL6601577

SCHEMBL6601577

COc1ccc2oc(OC(=O)Nc3ccc(-n4nc(OC)oc4=O)cc3C)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.58
FAAH O00519 2/20 0.58
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
MAOB P27338 5/20 0.40
MAPT P10636 3/20 0.40
ABHD16A O95870 2/20 0.40
POLB P06746 1/20 0.40
LPL P06858 1/20 0.40
LIPC P11150 1/20 0.40
LIPE Q05469 1/20 0.40
GAA P10253 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39

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
SCHEMBL6599507 0.90 MGLL (0.57) MGLLFAAHNPC1RAB9AKDM4E
SCHEMBL7046095 0.81 MGLL (0.74) MGLLFAAHKDM4EALDH1A1HPGD
SCHEMBL7571649 0.79 MGLL (0.72) MGLLFAAHNPC1RAB9AKDM4E
SCHEMBL6615026 0.77 MGLL (0.75) MGLLFAAHKDM4EALDH1A1HPGD
SCHEMBL7045989 0.76 MGLL (0.66) MGLLFAAHNPC1RAB9AKDM4E
SCHEMBL7046042 0.74 MGLL (0.72) MGLLFAAHALDH1A1ABHD16ALPL
SCHEMBL7042914 0.73 MGLL (1.00) MGLLFAAHNPC1RAB9AMAOB
SCHEMBL29499689 0.73 MGLL (1.00) MGLLFAAHNPC1RAB9AMAOB
SCHEMBL7656723 0.73 MGLL (0.62) MGLLFAAHNPC1RAB9AKDM4E
SCHEMBL7045977 0.73 MGLL (0.62) MGLLFAAHNPC1RAB9AKDM4E

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
EP-1263745-B1 SUBSTITUTED 3-PHENYL-5-ALKOXI-1,3,4-OXDIAZOL-2-ONE AND USE THEREOF FOR INHIBITING HORMONE-SENSITIVE LIPASE AVENTIS PHARMA GMBH (DE) 2004-05-19 EP disclosed