SCHEMBL7263602

SCHEMBL7263602

C[C@H](OCc1ccccc1)[C@H](CCOc1ccc2ncccc2c1)c1nc(C(N)=O)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ADA P00813 1/20 0.40
MCL1 Q07820 1/20 0.40
ALOX5 P09917 2/20 0.38
CYP3A4 P08684 1/20 0.38
RAB9A P51151 5/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 4/20 0.37
TNF P01375 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35

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 0.91 ADA (0.48) PPARGPPARAADAALOX5RAB9A
SCHEMBL7258926 0.86 MRGPRX4 (0.44) PPARGPPARAADA
SCHEMBL7263294 0.86 ADA (0.47) PPARGPPARAADAMCL1ALOX5
SCHEMBL7258752 0.85 ATM (0.41) PPARGPPARAADAALOX5KDM4E
SCHEMBL7263300 0.83 PDE10A (0.39) ADACYP3A4MAPT
SCHEMBL7264016 0.82 MCHR1 (0.40) ADAALOX5
SCHEMBL7259591 0.82 LMNA (0.42) ADAALDH1A1MAPTLMNA
SCHEMBL7449954 0.80 KMT2A (0.39) MCL1KDM4EALDH1A1MAPTHTT
SCHEMBL5671007 0.79 ADA (0.63) PPARGPPARAADAMCL1ALOX5
SCHEMBL7448692 0.79 ADA (0.38) ADAALOX5KDM4EALDH1A1LMNA

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