SCHEMBL7733893

SCHEMBL7733893

CC(=O)Oc1c(C(C)(C)C)cc(CCc2nc3cc(Cl)cc(CCc4ccccn4)c3o2)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SLC16A3 O15427 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL7733912 0.67 NPC1 (0.31) NPC1RAB9A
SCHEMBL7321855 0.66 KDM4E (0.36) KDM4EMAPTCYP1A2ALDH1A1HTT
SCHEMBL7322971 0.66 NPC1 (0.41) KDM4EMAPTCYP1A2ALDH1A1HTT
SCHEMBL7317091 0.65 PDGFRB (0.38) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL7315804 0.64 ALDH1A1 (0.36) MEN1KMT2AKDM4EMAPTCYP1A2
SCHEMBL7322773 0.64 CYP2D6 (0.36) MEN1KMT2AKDM4EMAPTCYP1A2
SCHEMBL7315751 0.64 RAB9A (0.43) KDM4ECYP1A2ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7324311 0.64 KDM4E (0.40) KDM4EMAPTCYP1A2ALDH1A1HTT
SCHEMBL7314123 0.64 KDM4E (0.37) MEN1KMT2AKDM4EMAPTCYP1A2
SCHEMBL7325292 0.63 KDM4E (0.34) MEN1KMT2AKDM4EMAPTCYP1A2

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-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US disclosed
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP disclosed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP disclosed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO disclosed