SCHEMBL5085580

SCHEMBL5085580

CC(=O)c1ccc(OCC2CCCCC2)cc1O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.60
PARP15 Q460N3 3/20 0.60
MAOB P27338 13/20 0.56
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
MAOA P21397 3/20 0.52
PPARD Q03181 1/20 0.51

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
SCHEMBL4653952 0.87 PARP10 (0.60) PARP10PARP15MAOBALDH1A1MAOA
SCHEMBL2964664 0.86 PARP10 (0.60) PARP10PARP15MAOBALDH1A1MAPK1
SCHEMBL716744 0.81 MAOB (0.55) PARP10PARP15MAOBMAOA
SCHEMBL2206445 0.80 PARP10 (0.51) PARP10PARP15MAOBMAOA
SCHEMBL8903105 0.79 CA12 (0.55) PARP10PARP15ALDH1A1CYP3A4HPGD
SCHEMBL11068644 0.79 MAOB (0.56) MAOBALDH1A1CYP3A4HPGDMAPK1
SCHEMBL983929 0.78 PARP10 (0.53) PARP10PARP15
SCHEMBL25210537 0.78 NFKB1 (0.60) MAOBALDH1A1CYP3A4HPGDMAPK1
SCHEMBL6958286 0.78 PARP10 (0.72) PARP10PARP15ALDH1A1
SCHEMBL3428815 0.77 PARP10 (0.49) PARP10PARP15MAOB

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-2008018692-A1 NOVEL CHALCONE DERIVATIVES WHICH INHIBIT THE IL-5 ACTIVITY THE INDUSTRY AND ACADEMIC COOPERATION IN CHUNGNAM NATIONAL UNIVERSITY (IAC) (KR) 2008-02-14 WO disclosed