SCHEMBL5733474

SCHEMBL5733474

COc1ccc2oc(C(=O)O)c(OCCC3CCCC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 2/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
MAOB P27338 1/20 0.44
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL5735830 0.96 KDM4E (0.49) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5734369 0.94 RAB9A (0.49) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4762869 0.89 NPC1 (0.50) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4773650 0.88 RAB9A (0.52) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4766268 0.88 RAB9A (0.52) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4770113 0.87 KDM4E (0.49) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5736140 0.84 MCL1 (0.48) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL5733487 0.84 KDM4E (0.51) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7074007 0.83 KDM4E (0.54) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5735498 0.81 NPC1 (0.53) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2

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
EP-1644364-A1 TETRAZOL BENZOFURANCARBOXAMIDES WITH PI3K ACTIVITY AS THERAPEUTIC AGENTS Warner-Lambert Company LLC (US) 2006-04-12 EP claimed
WO-2004108709-A1 TETRAZOL BENZOFURANCARBOXAMIDES WITH P13K AKTIVITY AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 WO claimed
EP-1644364-A1 TETRAZOL BENZOFURANCARBOXAMIDES WITH PI3K ACTIVITY AS THERAPEUTIC AGENTS Warner-Lambert Company LLC (US) 2006-04-12 EP disclosed
WO-2004108709-A1 TETRAZOL BENZOFURANCARBOXAMIDES WITH P13K AKTIVITY AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 WO disclosed