SCHEMBL4784797

SCHEMBL4784797

CCCOc1ccc(-n2c(C3CCCCC3)nc(O)cc2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APLNR P35414 5/20 0.48
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
POLB P06746 2/20 0.42
CACNA2D1 P54289 3/20 0.41
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
USP2 O75604 2/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL4741829 0.89 APLNR (0.50) APLNRALDH1A1KMT2AKDM4EMEN1
SCHEMBL4784791 0.82 APLNR (0.42) APLNRALDH1A1MAPTPOLBKMT2A
SCHEMBL4739124 0.79 HPGD (0.43) APLNRALDH1A1MAPTPOLBKMT2A
SCHEMBL4737525 0.79 KMT2A (0.54) APLNRALDH1A1MAPTPOLBKMT2A
SCHEMBL4739146 0.74 EGLN1 (0.45) APLNRALDH1A1MAPTPOLBLMNA
SCHEMBL4741828 0.74 APLNR (0.44) APLNRALDH1A1KMT2AKDM4EMEN1
SCHEMBL4739975 0.74 KMT2A (0.38) APLNRALDH1A1KMT2AKDM4EMEN1
SCHEMBL4782896 0.73 KMT2A (0.44) APLNRALDH1A1KMT2AKDM4EMEN1
SCHEMBL4739974 0.73 ALDH1A1 (0.38) APLNRALDH1A1MAPTPOLBKMT2A
SCHEMBL4740213 0.71 KMT2A (0.42) APLNRALDH1A1MAPTPOLBKMT2A

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-2008089051-A1 N-SUBSTITUTED GLYCINE DERIVATIVES: PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-24 WO disclosed