SCHEMBL16795263

SCHEMBL16795263

CC1(C)OB(c2ccc(O)c(CNC3CCCC3)c2)OC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.51
SLC2A1 P11166 1/20 0.51
HIF1A Q16665 6/20 0.45
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALOX15 P16050 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
HTT P42858 3/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ROCK1 Q13464 1/20 0.35

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
SCHEMBL16795218 0.90 PABPC1 (0.51) PABPC1SLC2A1HIF1ACYP2C9CYP2C19
SCHEMBL28690594 0.79 HRH3 (0.53) KDM4ETSHRALDH1A1LPLLIPG
SCHEMBL20505581 0.76 NPBWR1 (0.45) HIF1AHTTKMT2AKDM4EMEN1
SCHEMBL16795329 0.76 ALDH1A1 (0.43) PABPC1HIF1ACYP2C9CYP2C19CYP2D6
SCHEMBL12502664 0.75 HIF1A (0.48) HIF1AROCK1LPLLIPGCA12
SCHEMBL21682668 0.75 HIF1A (0.50) HIF1AROCK1LPLLIPGCA12
SCHEMBL4815568 0.75 LPL (0.44) HIF1AROCK1LPLLIPGCA12
SCHEMBL16795372 0.73 HIF1A (0.47) HIF1ATSHRROCK1LIPGCA12
SCHEMBL20504895 0.73 NPBWR1 (0.42) HIF1AHTTKMT2AKDM4EMEN1
SCHEMBL17045814 0.73 KMT2A (0.43) PABPC1HIF1ACYP2C9CYP2C19ALOX15

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-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 WO disclosed