SCHEMBL8878719

SCHEMBL8878719

CC(C)C(=O)C(C(=O)O)C(c1ccc(F)cc1)C1CCc2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
HTR2C P28335 5/20 0.40
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2B P41595 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
CYP19A1 P11511 2/20 0.38
ACHE P22303 1/20 0.37
PTGS2 P35354 1/20 0.37
GRM7 Q14831 2/20 0.37
TACR1 P25103 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKR1B1 P15121 1/20 0.34

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
SCHEMBL8877425 0.94 HTR2C (0.41) KDM4EHTR2CDRD2HTR2AHTR2B
SCHEMBL8890622 0.89 GRM7 (0.40) HTR2CDRD2HTR2AACHEGRM7
SCHEMBL2139852 0.83 KDM4E (0.49) KDM4EHTR2CDRD2HTR2AHTR2B
SCHEMBL9348192 0.74 KDM4E (0.52) KDM4EHTR2CDRD2HTR2AHTR2B
SCHEMBL5094876 0.73 SLC6A2 (0.36) PTGS2
SCHEMBL10448555 0.72 KDM4E (0.45) KDM4EHTR2CDRD2HTR2AHTR2B
SCHEMBL10450126 0.72 KDM4E (0.45) KDM4EHTR2CDRD2HTR2AHTR2B
SCHEMBL820846 0.72 ACHE (0.42) KDM4ECYP19A1ACHEPTGS2
SCHEMBL820213 0.72 ACHE (0.42) KDM4ECYP19A1ACHEPTGS2
SCHEMBL10388746 0.70 KDM4E (0.57) KDM4EHTR2CDRD2HTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691322-A Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1997-11-25 US disclosed
US-5686433-A CHOLESTEROL BIOSYNTHESIS INHIBITION E.R. SQUIBB & SONS, INC. (US) 1997-11-11 US disclosed
US-5506219-A ANTICHOLESTEROL AND ANTILIPEMIC AGENTS E. R. SQUIBB & SONS, INC. (US) 1996-04-09 US disclosed
EP-0444533-A2 Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1991-09-04 EP disclosed