SCHEMBL10869205

SCHEMBL10869205

N#Cc1ccc2c(c1)CCC(I)(CC(=O)O)C2=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 16/20 0.39
HSD11B1 P28845 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 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
SCHEMBL10341533 0.82 DGAT1 (0.55) DGAT1HSD11B1
SCHEMBL10341501 0.74 DGAT1 (0.42) DGAT1HSD11B1MAOB
SCHEMBL10923016 0.73 DGAT1 (0.44) DGAT1
SCHEMBL9588878 0.73 CYP11B2 (0.47)
SCHEMBL10341554 0.72 DGAT1 (0.45) DGAT1MAOAMAOB
SCHEMBL4495829 0.70 KDM1A (0.42) DGAT1HSD11B1
SCHEMBL4495832 0.70 KDM1A (0.42) DGAT1HSD11B1
SCHEMBL10341534 0.70 SMN1; SMN2 (0.40) MAOAMAOB
SCHEMBL10366670 0.70 DGAT1 (0.45) DGAT1PPARDPPARA
SCHEMBL15748671 0.68 DGAT1 (0.48) DGAT1

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
EP-0181145-A2 Heterocyclic compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-05-14 EP disclosed