SCHEMBL7258752

SCHEMBL7258752

C[C@H](OCc1ccccc1)[C@H](CCOc1ccc(Cl)c(Cl)c1)c1nc(C(N)=O)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ADA P00813 5/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
ALOX5 P09917 1/20 0.34
FFAR1 O14842 1/20 0.34
CYP2C9 P11712 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHEK2 O96017 1/20 0.34

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
SCHEMBL7453012 0.90 ADA (0.48) PPARGPPARAADAMRGPRX4ALDH1A1
SCHEMBL7263602 0.85 PPARG (0.41) PPARGPPARAADAALDH1A1KDM4E
SCHEMBL7258926 0.85 MRGPRX4 (0.44) PPARGPPARAADAMRGPRX4
SCHEMBL7258942 0.84 ADA (0.43) ATMADAALDH1A1KDM4ELMNA
SCHEMBL7259591 0.84 LMNA (0.42) ADAALDH1A1LMNA
SCHEMBL7264016 0.84 MCHR1 (0.40) ADAALOX5
SCHEMBL7263300 0.83 PDE10A (0.39) ADACYP2C9KMT2A
SCHEMBL7448692 0.81 ADA (0.38) ADAALDH1A1KDM4ELMNAALOX5
SCHEMBL7449720 0.81 SLC1A3 (0.35) ADAALDH1A1ALOX5CYP2C9MEN1
SCHEMBL7448884 0.81 SLC6A2 (0.38) PPARGPPARAADA

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-2003006437-A1 IMIDAZOLE DERIVATIVES AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-23 WO claimed