SCHEMBL28884657

SCHEMBL28884657

O=C(O)CCC(C(=O)O)C1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.40
SLC6A3 Q01959 2/20 0.38
ALDH1A1 P00352 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
TET2 Q6N021 3/20 0.34
KDM4A O75164 2/20 0.34
KDM4C Q9H3R0 2/20 0.34
KDM2A Q9Y2K7 2/20 0.34
TET3 O43151 1/20 0.34
CYP1A2 P05177 2/20 0.33
PPM1B O75688 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GSR P00390 1/20 0.33

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
SCHEMBL27909276 0.83 LMNA (0.51) MEN1HTTKMT2ALMNASLC6A3
SCHEMBL10888326 0.78 GPR84 (0.41) MEN1HTTKMT2ASLC6A3
SCHEMBL9042034 0.78 MEN1 (0.40) MEN1HTTKMT2ALMNASLC6A3
SCHEMBL12497665 0.75 MEN1 (0.54) MEN1HTTKMT2ALMNASLC6A3
SCHEMBL2481407 0.74 KMT2A (0.49) MEN1HTTKMT2ALMNASLC6A3
SCHEMBL2481406 0.74 KMT2A (0.49) MEN1HTTKMT2ALMNASLC6A3
SCHEMBL2481404 0.74 KMT2A (0.49) MEN1HTTKMT2ALMNASLC6A3
SCHEMBL28572076 0.73 ALDH1A1 (0.44) LMNAALDH1A1TET2KDM4AKDM4C
SCHEMBL10874251 0.73 SLC6A3 (0.42) MEN1HTTKMT2ALMNASLC6A3
SCHEMBL24293555 0.70 TET2 (0.44) TET2KDM4AKDM4CKDM2ATET3

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
CN-106999537-B Novel α 4 β 7 peptide monomer and dimer antagonists 领导医疗有限公司 2020-01-31 CN disclosed