SCHEMBL8260540

SCHEMBL8260540

C=C(CCCCCNC(=O)COCc1ccc(F)cc1)N1CCC[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.43
THRB P10828 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43
DPP4 P27487 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.37
FKBP1A P62942 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.36
ACE P12821 2/20 0.36
ACE2 Q9BYF1 2/20 0.36
LTA4H P09960 2/20 0.36
CCR5 P51681 1/20 0.36

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
SCHEMBL5353477 0.91 DPP4 (0.51) PRCPTHRBALOX12KMT2ADPP4
SCHEMBL5353470 0.91 DPP4 (0.51) PRCPTHRBALOX12KMT2ADPP4
SCHEMBL5281177 0.82 DPP4 (0.49) PRCPDPP4ALDH1A1FKBP1AACE
SCHEMBL5281181 0.82 DPP4 (0.49) PRCPDPP4ALDH1A1FKBP1AACE
SCHEMBL5280364 0.78 ALDH1A1 (0.54) PRCPDPP4ALDH1A1FKBP1A
SCHEMBL5280371 0.78 ALDH1A1 (0.54) PRCPDPP4ALDH1A1FKBP1A
SCHEMBL5281806 0.78 ITGB1 (0.47) PRCPDPP4ALDH1A1FKBP1AKDM4E
SCHEMBL5281811 0.78 ITGB1 (0.47) PRCPDPP4ALDH1A1FKBP1AKDM4E
SCHEMBL5282279 0.77 ITGB3 (0.47) KMT2ATSHRRAB9A
SCHEMBL5282120 0.76 HDAC1 (0.46) PRCPDPP4ALDH1A1TSHRL3MBTL1

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-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO disclosed