SCHEMBL91268

SCHEMBL91268

CCc1ccc(OCCOc2ccccc2Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 8/20 0.69
MAPT P10636 5/20 0.64
TDP1 Q9NUW8 2/20 0.64
PPARG P37231 1/20 0.55
PPARD Q03181 1/20 0.55
PPARA Q07869 1/20 0.55
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
KCNH2 Q12809 1/20 0.49
CISD1 Q9NZ45 2/20 0.48
HPGD P15428 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ATM Q13315 1/20 0.46
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL10597748 0.86 L3MBTL1 (0.90) L3MBTL1MAPTTDP1PPARGPPARD
SCHEMBL9117427 0.83 L3MBTL1 (0.90) L3MBTL1MAPTTDP1PPARGPPARD
SCHEMBL5290069 0.83 L3MBTL1 (0.69) L3MBTL1MAPTTDP1PPARGPPARD
SCHEMBL1592400 0.82 DRD2 (0.72) L3MBTL1MAPTTDP1PPARGPPARD
SCHEMBL91273 0.81 L3MBTL1 (0.50) L3MBTL1MAPTTDP1PPARGCYP1A2
SCHEMBL5281663 0.81 L3MBTL1 (0.61) L3MBTL1MAPTTDP1PPARGPPARD
SCHEMBL11419701 0.81 LPAR1 (0.52) L3MBTL1MAPTTDP1TP53SMN1; SMN2
SCHEMBL8672333 0.80 L3MBTL1 (0.60) L3MBTL1MAPTTDP1PPARGPPARD
SCHEMBL1373729 0.80 KDM4E (0.59) L3MBTL1MAPTCYP1A2CYP2C19CYP2D6
SCHEMBL9808263 0.80 L3MBTL1 (0.68) L3MBTL1MAPTTDP1DRD2DRD4

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
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed