SCHEMBL13680799

SCHEMBL13680799

CN(C)C(=O)Oc1ccc(-c2cccc(CCC=O)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.52
ABHD6 Q9BV23 2/20 0.52
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.40
BCHE P06276 1/20 0.40
FFAR1 O14842 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL13680791 0.86 GAA (0.55) ABHD6RAB9AKMT2ALMNAFFAR1
SCHEMBL13680792 0.83 MEN1 (0.42) ABHD6KMT2ALMNAFFAR1
SCHEMBL13680793 0.82 BCHE (0.47) ACHEABHD6RAB9AALDH1A1LMNA
SCHEMBL13681368 0.81 AOC3 (0.40) ABHD6LMNAFFAR1
SCHEMBL13680801 0.81 ERN1 (0.50) ALDH1A1LMNA
SCHEMBL13680784 0.80 ABL1 (0.50) ALDH1A1LMNAFFAR1TSHR
SCHEMBL13680783 0.78 FFAR1 (0.45) FFAR1
SCHEMBL13680807 0.78 AOC3 (0.61) TSHR
SCHEMBL2302446 0.76 FFAR4 (0.46) ALDH1A1FFAR1
SCHEMBL13680788 0.76 MAPT (0.50) LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed