SCHEMBL4549266

SCHEMBL4549266

O=C1OCc2cc(C3CC3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 1/20 0.56
PRF1 P14222 6/20 0.50
MAOA P21397 4/20 0.50
MAOB P27338 4/20 0.50
RECQL P46063 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
PDE4D Q08499 1/20 0.43
CYP3A4 P08684 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL18472558 0.81 MAPT (0.54) MAPTLMNAGAAPRF1MAOA
SCHEMBL18472563 0.81 MAPT (0.54) MAPTLMNAGAAPRF1MAOA
SCHEMBL286642 0.81 MAPT (0.54) MAPTLMNAGAAPRF1MAOA
SCHEMBL31736923 0.80 DRD2 (0.53) MAOAMAOBKCNJ1KCNH2
SCHEMBL6103471 0.79 MAPT (0.53) MAPTLMNAGAAPRF1MAOA
SCHEMBL22103559 0.79 MAPT (0.53) MAPTLMNAGAAPRF1MAOA
SCHEMBL16107309 0.74 MAPT (0.47) MAPTLMNAGAAPRF1MAOA
SCHEMBL20574951 0.72 MAPT (0.45) MAPTLMNAGAAPRF1MAOA
SCHEMBL855289 0.72 MAPT (0.61) MAPTLMNAGAAPRF1MAOA
SCHEMBL365201 0.72 MAPT (0.61) MAPTLMNAGAAPRF1MAOA

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
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed