SCHEMBL78179

SCHEMBL78179

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
LMNA P02545 3/20 0.41
HRH3 Q9Y5N1 3/20 0.41
POLB P06746 3/20 0.41
RAB9A P51151 3/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
MITF O75030 1/20 0.39
TP53 P04637 1/20 0.39
APP P05067 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAOB P27338 1/20 0.38
AOC3 Q16853 1/20 0.38
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL78505 0.91 KDM4E (0.41) KDM4ELMNAHRH3POLBRAB9A
SCHEMBL78164 0.80 OXTR (0.34) KDM4ELMNAPOLBRAB9AATM
SCHEMBL5282486 0.80 KDM4E (0.53) KDM4ELMNAHRH3POLBRAB9A
SCHEMBL91267 0.80 LMNA (0.43) KDM4ELMNAHRH3POLBRAB9A
SCHEMBL78180 0.76 KDM4E (0.46) KDM4ELMNAHRH3POLBRAB9A
SCHEMBL78168 0.74 L3MBTL1 (0.46) KDM4ELMNAHRH3POLBRAB9A
SCHEMBL22248702 0.72 HRH3 (0.62) KDM4ELMNAHRH3POLBRAB9A
SCHEMBL20234326 0.72 HRH3 (0.61) KDM4ELMNAHRH3POLBRAB9A
SCHEMBL91291 0.72 LMNA (0.41) KDM4ELMNAHRH3POLBL3MBTL1
SCHEMBL78591 0.71 ALDH1A1 (0.51) KDM4ELMNAHRH3POLBRAB9A

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