SCHEMBL6533828

SCHEMBL6533828

COC(=O)C(Cc1ccc(OCc2cnn(-c3ccc(Cl)cc3)c2)cc1)C(C)=NOCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
GPR34 Q9UPC5 1/20 0.42
PPARG P37231 9/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
ALKBH1 Q13686 1/20 0.41
PPARA Q07869 6/20 0.41
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPARD Q03181 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL6533823 1.00 LTA4H (0.42) LTA4HGPR34PPARGSMN1; SMN2MEN1
SCHEMBL6533254 0.94 PTGS2 (0.41) GPR34PPARGSMN1; SMN2MEN1KMT2A
SCHEMBL6533259 0.94 PTGS2 (0.41) GPR34PPARGSMN1; SMN2MEN1KMT2A
SCHEMBL6533728 0.93 PPARG (0.47) GPR34PPARGSMN1; SMN2MEN1KMT2A
SCHEMBL6533724 0.93 PPARG (0.47) GPR34PPARGSMN1; SMN2MEN1KMT2A
SCHEMBL6532877 0.93 PPARG (0.43) GPR34PPARGSMN1; SMN2MEN1KMT2A
SCHEMBL6532872 0.93 PPARG (0.43) GPR34PPARGSMN1; SMN2MEN1KMT2A
SCHEMBL6532687 0.93 LTA4H (0.43) LTA4HPPARGSMN1; SMN2MEN1KMT2A
SCHEMBL6532104 0.93 LTA4H (0.43) LTA4HPPARGSMN1; SMN2MEN1KMT2A
SCHEMBL6532682 0.93 LTA4H (0.43) LTA4HPPARGSMN1; SMN2MEN1KMT2A

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-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO claimed