SCHEMBL78417

SCHEMBL78417

COCCCn1cc(C(C)(C)C)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.53
CNR1 P21554 3/20 0.53
ALDH1A1 P00352 5/20 0.45
MAPT P10636 5/20 0.45
HTT P42858 4/20 0.45
LMNA P02545 3/20 0.45
TSHR P16473 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 1/20 0.43
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL25003914 0.83 ALDH1A1 (0.56) CNR2CNR1ALDH1A1NPC1RAB9A
SCHEMBL78865 0.81 ICMT (0.42) CNR2CNR1ALDH1A1MAPTHTT
SCHEMBL78476 0.81 ICMT (0.42) CNR2CNR1ALDH1A1HTTLMNA
SCHEMBL90184 0.80 CNR2 (0.56) CNR2CNR1ALDH1A1MAPTHTT
SCHEMBL21848866 0.80 HTR6 (0.43) CNR2CNR1ALDH1A1
SCHEMBL20655567 0.80 POLB (0.49) CNR2CNR1ALDH1A1
SCHEMBL4604311 0.79 CNR2 (0.55) CNR2CNR1ALDH1A1MAPTHTT
SCHEMBL12048886 0.79 CNR2 (0.55) CNR2CNR1ALDH1A1MAPTHTT
SCHEMBL13806318 0.79 CNR2 (0.55) CNR2CNR1ALDH1A1MAPTHTT
SCHEMBL88821 0.78 CNR2 (0.57) CNR2CNR1ALDH1A1MAPTHTT

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 1 patent. 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