SCHEMBL8876007

SCHEMBL8876007

O=C(O)C(=Cc1ccc(F)cc1)C(=O)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.42
PTGS2 P35354 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
AKR1C3 P42330 1/20 0.39
DPEP1 P16444 1/20 0.38
HSD11B1 P28845 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38

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
SCHEMBL8876005 1.00 MEN1 (0.44) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL3923058 0.82 TP53 (0.61) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL9735962 0.81 MEN1 (0.50) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL9735963 0.81 MEN1 (0.50) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL9735955 0.81 MEN1 (0.50) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL8133010 0.76 MEN1 (0.48) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL8133007 0.76 MEN1 (0.48) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL8028754 0.76 ALDH1A1 (0.58) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL3990606 0.75 ALDH1A1 (0.56) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL3990611 0.75 ALDH1A1 (0.56) MEN1KMT2AMAPTLMNACYP1A2

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