SCHEMBL6073092

SCHEMBL6073092

O=C(O)CN(Cc1ccc(OCCN2C(=O)CSc3ccccc32)cc1)C(=O)Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
FAAH O00519 1/20 0.38
PPARA Q07869 7/20 0.37
PPARG P37231 4/20 0.37
CYP2C9 P11712 1/20 0.37
KCNH2 Q12809 1/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
FPR2 P25090 1/20 0.36
TSHR P16473 2/20 0.36
LTA4H P09960 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
SCHEMBL6073238 0.91 NPSR1 (0.45) KDM4EALDH1A1LMNAGAAHTT
SCHEMBL6073175 0.90 PPARA (0.44) ALDH1A1LMNAPPARAPPARGTSHR
SCHEMBL6073207 0.89 PPARG (0.39) PPARAPPARGCYP2C9KCNH2DRD2
SCHEMBL6073063 0.82 TSHR (0.41) ALDH1A1LMNAPPARAPPARGTSHR
SCHEMBL6073290 0.81 DRD2 (0.39) LMNAPPARAPPARGDRD2DRD1
SCHEMBL6073183 0.81 NPSR1 (0.52) ALDH1A1LMNAPPARAPPARGTSHR
SCHEMBL6073297 0.79 NPSR1 (0.47) ALDH1A1LMNAFAAHDRD2DRD1
SCHEMBL6073165 0.77 NPSR1 (0.49) ALDH1A1LMNAPPARAPPARGTSHR
SCHEMBL6073002 0.77 NPSR1 (0.51) KDM4EALDH1A1LMNAPPARAPPARG
SCHEMBL6073497 0.77 OPRK1 (0.46) KDM4EALDH1A1KMT2AFAAHTSHR

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-2006117743-A1 SUBSTITUTED AROMATIC COMPOUNDS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed