SCHEMBL7453012

SCHEMBL7453012

C[C@H](OCc1ccccc1)[C@H](CCOc1ccc2ccccc2c1)c1nc(C(N)=O)c[nH]1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADA P00813 4/20 0.48
PPARG P37231 7/20 0.41
PPARA Q07869 6/20 0.41
PPARD Q03181 3/20 0.41
ALOX5 P09917 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
XIAP P98170 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
NPC1 O15118 2/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 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
SCHEMBL7258926 0.92 MRGPRX4 (0.44) ADAPPARGPPARAPPARDXIAP
SCHEMBL7263602 0.91 PPARG (0.41) ADAPPARGPPARAALOX5KDM4E
SCHEMBL7258752 0.90 ATM (0.41) ADAPPARGPPARAALOX5KDM4E
SCHEMBL7264016 0.86 MCHR1 (0.40) ADAALOX5
SCHEMBL7259591 0.86 LMNA (0.42) ADAALDH1A1MAPT
SCHEMBL7263300 0.86 PDE10A (0.39) ADAKMT2AMAPT
SCHEMBL7449954 0.84 KMT2A (0.39) KDM4EALDH1A1XIAPMEN1POLB
SCHEMBL7448692 0.83 ADA (0.38) ADAALOX5KDM4EALDH1A1MEN1
SCHEMBL7449720 0.83 SLC1A3 (0.35) ADAALOX5ALDH1A1MEN1KMT2A
SCHEMBL7453359 0.82 PDE4A (0.37) ADAPPARGPPARAMEN1KMT2A

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-2001026605-A2 IMMUNOSUPPRESSIVE COMPOSITION CONTAINING IL-2 INHIBITOR AND AN ADENOSINE DEAMINASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-19 WO disclosed