SCHEMBL8890622

SCHEMBL8890622

CC(C)C(=O)C(C(=O)O)C(c1ccc(F)cc1)C1Cc2ccccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 3/20 0.40
HTR2C P28335 4/20 0.37
HTR2A P28223 2/20 0.37
ACHE P22303 2/20 0.36
MTNR1B P49286 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
PGR P06401 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
NFKB1 P19838 1/20 0.34
DRD1 P21728 1/20 0.34
HTT P42858 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
SCHEMBL8878719 0.89 KDM4E (0.40) GRM7HTR2CHTR2AACHESMN1; SMN2
SCHEMBL8877425 0.87 HTR2C (0.41) GRM7HTR2CHTR2AACHETACR1
SCHEMBL5094876 0.72 SLC6A2 (0.36) MEN1KMT2A
SCHEMBL2139852 0.70 KDM4E (0.49) HTR2CHTR2AACHESMN1; SMN2NPC1
SCHEMBL10752402 0.69 ACHE (0.49) ACHESMN1; SMN2MEN1LMNAKMT2A
SCHEMBL11770519 0.68 ACHE (0.55) ACHESMN1; SMN2MEN1KMT2A
SCHEMBL4611650 0.67 ACHE (0.58) HTR2CHTR2AACHEDRD2
SCHEMBL4402124 0.67 ACHE (0.58) HTR2CHTR2AACHEDRD2
SCHEMBL13657290 0.66 SMN1; SMN2 (0.51) GRM7HTR2CHTR2AACHESMN1; SMN2
SCHEMBL11080595 0.66 ACHE (0.55) ACHEMTNR1BCYP2D6KMT2A

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