SCHEMBL5701779

SCHEMBL5701779

CCCCC(CCOc1ccc2ccccc2c1)Nc1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.58
IDO1 P14902 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
DRD3 P35462 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
POLB P06746 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
LMNA P02545 1/20 0.40
SLC6A2 P23975 2/20 0.40

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
SCHEMBL21730504 0.82 MAPT (0.46) NPC1RAB9AKDM4EMAPK1TDP1
SCHEMBL21918097 0.76 MMP9 (0.46) NPC1RAB9AKDM4EMAPK1TDP1
SCHEMBL470925 0.76 TDP1 (0.68) PPARGNPC1RAB9ACYP1A2CYP2A6
SCHEMBL29666114 0.76 TDP1 (0.68) PPARGNPC1RAB9ACYP1A2CYP2A6
SCHEMBL6087232 0.75 PPARG (0.54) PPARGNPC1RAB9AKDM4EMAPK1
SCHEMBL5701135 0.74 PPARG (1.00) PPARGNPC1RAB9ACYP1A2CYP2A6
SCHEMBL5701175 0.73 PPARG (0.92) PPARGNPC1RAB9ACYP1A2CYP2A6
SCHEMBL9576090 0.73 KDM4E (0.63) PPARGNPC1RAB9ADRD3HRH3
SCHEMBL15772637 0.73 PPARG (0.58) PPARGNPC1RAB9ACYP1A2CYP2A6
SCHEMBL5701200 0.72 PPARG (0.91) PPARGNPC1RAB9ACYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682484-A1 OMEGA-SUBSTITUTED-NAPHTHYLOXYALKLAMINO DERIVATIVES AS ANTIHYPERGLYCEMIC AGENTS AND PREPARATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-07-26 EP disclosed
WO-2005042465-A1 OMEGA-SUBSTITUTED-NAPHTHYLOXYALKLAMINO DERIVATIVES AS ANTIHYPERGLYCEMIC AGENTS AND PREPARATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-05-12 WO disclosed