SCHEMBL78180

SCHEMBL78180

CC(C)(C)c1ccc(OCCOc2c(Cl)cccc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 4/20 0.45
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.44
MITF O75030 2/20 0.44
TP53 P04637 1/20 0.44
HRH3 Q9Y5N1 3/20 0.44
POLB P06746 3/20 0.44
ATM Q13315 1/20 0.44
KMT2A Q03164 3/20 0.42
XBP1 P17861 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
APP P05067 1/20 0.41
MEN1 O00255 2/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PLA2G1B P04054 1/20 0.41

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
SCHEMBL78168 0.84 L3MBTL1 (0.46) KDM4EL3MBTL1RAB9ASMN1; SMN2LMNA
SCHEMBL78439 0.82 L3MBTL1 (0.63) KDM4EL3MBTL1RAB9ASMN1; SMN2LMNA
SCHEMBL78591 0.81 ALDH1A1 (0.51) KDM4EL3MBTL1RAB9ASMN1; SMN2LMNA
SCHEMBL5282486 0.80 KDM4E (0.53) KDM4EL3MBTL1RAB9ASMN1; SMN2LMNA
SCHEMBL78505 0.80 KDM4E (0.41) KDM4EL3MBTL1RAB9ASMN1; SMN2LMNA
SCHEMBL8407208 0.78 HRH3 (0.43) KDM4EL3MBTL1RAB9ASMN1; SMN2LMNA
SCHEMBL78506 0.78 L3MBTL1 (0.44) KDM4EL3MBTL1RAB9ASMN1; SMN2LMNA
SCHEMBL3807523 0.78 RAB9A (0.59) KDM4ERAB9ASMN1; SMN2LMNANPC1
SCHEMBL91273 0.78 L3MBTL1 (0.50) KDM4EL3MBTL1SMN1; SMN2LMNAHRH3
SCHEMBL1535645 0.77 KDM4E (0.53) KDM4EL3MBTL1RAB9ASMN1; SMN2LMNA

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