SCHEMBL78505

SCHEMBL78505

CC(C)(C)c1ccc(OCCOc2c(Cl)ccc(F)c2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
LMNA P02545 3/20 0.40
POLB P06746 3/20 0.40
RAB9A P51151 3/20 0.40
HRH3 Q9Y5N1 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
MITF O75030 1/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
APP P05067 1/20 0.37
MAOB P27338 1/20 0.37
AOC3 Q16853 1/20 0.37
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL78179 0.91 KDM4E (0.43) KDM4ELMNAPOLBRAB9AHRH3
SCHEMBL91291 0.81 LMNA (0.41) KDM4ELMNAPOLBHRH3L3MBTL1
SCHEMBL78180 0.80 KDM4E (0.46) KDM4ELMNAPOLBRAB9AHRH3
SCHEMBL5282486 0.78 KDM4E (0.53) KDM4ELMNAPOLBRAB9AHRH3
SCHEMBL78168 0.75 L3MBTL1 (0.46) KDM4ELMNAPOLBRAB9AHRH3
SCHEMBL28222875 0.74 HTT (0.40) LMNAPOLBL3MBTL1ALDH1A1
SCHEMBL78164 0.72 OXTR (0.34) KDM4ELMNAPOLBRAB9AATM
SCHEMBL91267 0.72 LMNA (0.43) KDM4ELMNAPOLBRAB9AHRH3
SCHEMBL1535645 0.71 KDM4E (0.53) KDM4ELMNAPOLBRAB9AHRH3
SCHEMBL22248702 0.70 HRH3 (0.62) KDM4ELMNAPOLBRAB9AHRH3

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