SCHEMBL2647713

SCHEMBL2647713

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TRPA1 O75762 2/20 0.45
TP53 P04637 1/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PTGS2 P35354 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
AKR1C3 P42330 1/20 0.43
POLB P06746 2/20 0.43
FBP1 P09467 1/20 0.41
IKBKB O14920 1/20 0.40
CHUK O15111 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
SCHEMBL10570280 1.00 MEN1 (0.49) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL2647715 1.00 MEN1 (0.49) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL5809210 0.92 MEN1 (0.43) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL2856643 0.84 HTT (0.56) MEN1KMT2AMAPTCYP2C9TP53
SCHEMBL2856641 0.84 HTT (0.56) MEN1KMT2AMAPTCYP2C9TP53
SCHEMBL3923058 0.83 TP53 (0.61) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL3181449 0.82 MEN1 (0.53) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL3181455 0.82 MEN1 (0.53) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL5101671 0.82 MEN1 (0.53) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL5809204 0.81 MAPT (0.51) MEN1KMT2ALMNACYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006110918-A1 PYRROLE COMPOUNDS AND USES THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2006-10-19 WO disclosed
US-6218431-B1 GLUCAGON RECEPTOR ANTAGONISTS FOR THERAPY OF DIABETES AND CONDITIONS ASSOCIATED WITH DIABETES BAYER CORPORATION 2001-04-17 US disclosed
EP-0934274-A1 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS Bayer Corporation (US) 1999-08-11 EP disclosed
WO-1998004528-A2 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS BAYER CORPORATION (US) 1998-02-05 WO disclosed
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-0463456-A1 Phosphorus-containing HMG-CoA reductase inhibitors, new intermediates and their use E.R. SQUIBB & SONS, INC. (US) 1992-01-02 EP disclosed
EP-0444533-A2 Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1991-09-04 EP disclosed
EP-0327500-A2 5-Substituted 1H-pyrazolo[3,4-b]pyridine derivatives, their preparation and pharmaceutical compositions containing them SANDOZ AG (CH) 1989-08-09 EP disclosed
US-4822799-A Pyrazolopyridine analogs of mevalonolactone and derivatives thereof useful for inhibiting cholesterol biosynthesis in mammals SANDOZ PHARM. CORP. (US) 1989-04-18 US disclosed