SCHEMBL4590358

SCHEMBL4590358

COc1ccccc1C(C(C)O)N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 4/20 0.43
CYP3A4 P08684 4/20 0.43
CYP2D6 P10635 4/20 0.43
CYP2C9 P11712 4/20 0.43
KCNA5 P22460 4/20 0.43
CYP2C19 P33261 4/20 0.43
KCNH2 Q12809 4/20 0.43
KCNE1 P15382 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43

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
SCHEMBL11885437 0.87 MAPT (0.49) MAPTKDM4EHPGDALOX15SMN1; SMN2
SCHEMBL11885445 0.85 KDM4E (0.47) MAPTKDM4EHPGDALOX15SMN1; SMN2
SCHEMBL13553399 0.80 KDM4E (0.51) MAPTKDM4EHPGDALOX15SMN1; SMN2
SCHEMBL27337559 0.80 HPGD (0.43) MAPTKDM4EHPGDALOX15SMN1; SMN2
SCHEMBL11886645 0.78 KDM4E (0.49) MAPTKDM4EHPGDALOX15SMN1; SMN2
SCHEMBL13653654 0.77 MAPT (0.51) MAPTKDM4EHPGDALOX15SMN1; SMN2
SCHEMBL8919957 0.76 MAPT (0.50) MAPTKDM4EHPGDALOX15SMN1; SMN2
SCHEMBL29700504 0.75 TACR1 (0.51) MAPTKDM4EHPGDALOX15SMN1; SMN2
SCHEMBL20690487 0.75 TACR1 (0.51) MAPTKDM4EHPGDALOX15SMN1; SMN2
SCHEMBL11118177 0.75 CYP2C19 (0.71) HPGDKMT2AMEN1ALDH1A1CYP1A2

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-2008100621-A2 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed