SCHEMBL8714034

SCHEMBL8714034

CCC(Cc1ccc(OC)c(OC)c1)[C@@H](N)[C@H](O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
ALOX15 P16050 2/20 0.41
ALOX12 P18054 2/20 0.41
LDHA P00338 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
LMNA P02545 3/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
CDK8 P49336 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL8714037 1.00 ACHE (0.44) ACHEPPARGPPARDPPARAALOX15
SCHEMBL8718425 0.86 ALOX15 (0.52) ACHEPPARGPPARDPPARAALOX15
SCHEMBL8718428 0.86 ALOX15 (0.52) ACHEPPARGPPARDPPARAALOX15
SCHEMBL8713237 0.85 PPARG (0.43) ACHEPPARGPPARDPPARAALOX15
SCHEMBL8713241 0.85 PPARG (0.43) ACHEPPARGPPARDPPARAALOX15
SCHEMBL8714129 0.83 LDHA (0.48) ACHEPPARGPPARDPPARAALOX15
SCHEMBL8714130 0.83 LDHA (0.48) ACHEPPARGPPARDPPARAALOX15
SCHEMBL8713251 0.78 SMN1; SMN2 (0.47) ACHEPPARGPPARDPPARAALOX15
SCHEMBL8713254 0.78 SMN1; SMN2 (0.47) ACHEPPARGPPARDPPARAALOX15
SCHEMBL8715437 0.74 SIGMAR1 (0.51) LDHALMNAMEN1KMT2ASTAT3

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
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed