SCHEMBL78439

SCHEMBL78439

CC(C)(C)c1ccc(OCCOc2ccccc2Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.63
MAPT P10636 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
PPARG P37231 1/20 0.51
PPARD Q03181 1/20 0.51
PPARA Q07869 1/20 0.51
KMT2A Q03164 2/20 0.47
CISD1 Q9NZ45 2/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
MITF O75030 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 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
SCHEMBL78180 0.82 KDM4E (0.46) L3MBTL1MAPTTDP1KMT2AMEN1
SCHEMBL3806966 0.82 TDP1 (0.56) L3MBTL1MAPTTDP1DRD2DRD4
SCHEMBL10597748 0.81 L3MBTL1 (0.90) L3MBTL1MAPTTDP1DRD2DRD4
SCHEMBL9117427 0.81 L3MBTL1 (0.90) L3MBTL1MAPTTDP1DRD2DRD4
SCHEMBL5290069 0.81 L3MBTL1 (0.69) L3MBTL1MAPTTDP1DRD2DRD4
SCHEMBL1592400 0.81 DRD2 (0.72) L3MBTL1MAPTTDP1DRD2DRD4
SCHEMBL3807523 0.81 RAB9A (0.59) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL78167 0.80 KMT2A (0.54) L3MBTL1MAPTTDP1DRD2DRD4
SCHEMBL9320925 0.80 ALDH1A1 (0.48) L3MBTL1MAPTTDP1KMT2AMEN1
SCHEMBL5282486 0.79 KDM4E (0.53) L3MBTL1MAPTDRD2DRD4DRD3

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