SCHEMBL7328907

SCHEMBL7328907

[CH2]CCCCC(O)c1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
GAA P10253 1/20 0.37
ACP3 P15309 1/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP3A4 P08684 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KCNH2 Q12809 2/20 0.34
PPARG P37231 2/20 0.33
CYP19A1 P11511 2/20 0.33
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SLC22A2 O15244 1/20 0.31
SLC22A1 O15245 1/20 0.31
GRIN2D O15399 1/20 0.31

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
SCHEMBL9796192 0.83 PPARG (0.46) ESR1GAAPPARGKDM4ELMNA
SCHEMBL9795914 0.81 PPARG (0.48) ESR1PPARGALDH1A1
SCHEMBL3936218 0.81 PPARG (0.48) ESR1PPARGALDH1A1
SCHEMBL477348 0.81 ESR1 (0.42) ESR1GAAACP3SLC6A2SLC6A4
SCHEMBL30949071 0.79 ESR1 (0.41) ESR1GAAACP3SLC6A2SLC6A4
SCHEMBL30949077 0.79 ESR1 (0.41) ESR1GAAACP3SLC6A2SLC6A4
SCHEMBL539922 0.79 ESR1 (0.43) ESR1GAAACP3SLC6A2SLC6A4
SCHEMBL5265776 0.79 ESR1 (0.43) ESR1GAAACP3SLC6A2SLC6A4
SCHEMBL3918915 0.77 ESR1 (0.42) ESR1GAAACP3SLC6A2SLC6A4
SCHEMBL3918911 0.77 ESR1 (0.42) ESR1GAAACP3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385914-A Cardiotonic carbostyril agents for treating heart ailments OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0355583-B1 Cardiotonics OTSUKA PHARMA CO LTD (JP) 1995-01-25 EP disclosed
US-5266577-A Method of treating congestive heart failure using carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY LTD. (JP) 1993-11-30 US disclosed
US-5198448-A Cardiovascular disorders OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1993-03-30 US disclosed
US-5053514-A Side effect reduction; carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-10-01 US disclosed
EP-0355583-A2 Cardiotonics OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed