SCHEMBL78168

SCHEMBL78168

Cc1cc(Cl)c(OCCOc2ccc(C(C)(C)C)cc2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.44
REN P00797 7/20 0.44
HRH3 Q9Y5N1 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
RAB9A P51151 2/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 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
SCHEMBL7602449 0.85 MAPT (0.51) L3MBTL1MAPTHPGDMAPK1REN
SCHEMBL78180 0.84 KDM4E (0.46) L3MBTL1MAPTKDM4EHRH3LMNA
SCHEMBL3925202 0.83 MAPT (0.47) L3MBTL1MAPTHPGDMAPK1KDM4E
SCHEMBL1751411 0.82 MAPT (0.49) L3MBTL1MAPTHPGDMAPK1KDM4E
SCHEMBL8407208 0.82 HRH3 (0.43) L3MBTL1KDM4EHRH3LMNAPOLB
SCHEMBL12601506 0.81 REN (0.48) L3MBTL1MAPTHPGDMAPK1KDM4E
SCHEMBL8165437 0.81 MAPT (0.48) L3MBTL1MAPTHPGDMAPK1KDM4E
SCHEMBL5795265 0.80 MAPT (0.58) L3MBTL1MAPTHPGDMAPK1KDM4E
SCHEMBL78925 0.80 L3MBTL1 (0.45) L3MBTL1MAPTHPGDMAPK1KDM4E
SCHEMBL5282382 0.79 TSHR (0.62) L3MBTL1MAPTKDM4EHRH3LMNA

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