SCHEMBL9726685

SCHEMBL9726685

CCOC(=O)C(C#N)=C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
LMNA P02545 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 4/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CASP3 P42574 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
THRB P10828 1/20 0.42
ALOX12 P18054 1/20 0.42
TSHR P16473 1/20 0.41
CES2 O00748 1/20 0.39

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
SCHEMBL5711693 0.88 ALDH1A1 (0.49) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL2368081 0.87 MAPT (0.50) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL20551552 0.87 MAPT (0.56) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL2368085 0.87 MAPT (0.50) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL20551554 0.87 MAPT (0.56) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL29115861 0.86 MAPT (0.43) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL20551387 0.85 MAPT (0.49) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL20551385 0.85 MAPT (0.49) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL2369455 0.85 MAPT (0.49) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL2369458 0.85 MAPT (0.49) MAPTALDH1A1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5110940-A Inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase BRISTOL-MYERS COMPANY (US) 1992-05-05 US disclosed
US-5068346-A Anticholesterol agents BRISTOL-MYERS COMPANY (US) 1991-11-26 US disclosed
US-5028730-A Anticholesterol, enzyme inhibitors, chemical intermediates BRISTOL-MYERS COMPANY (US) 1991-07-02 US disclosed
US-4981991-A ENZYME INHIBITORS BRISTOL-MYERS COMPANY (US) 1991-01-01 US disclosed
US-4939265-A Intermediates and process for the preparation of antihypercholesterolemic tetrazole compounds BRISTOL-MYERS COMPANY (US) 1990-07-03 US disclosed
US-4927944-A ENZYME INHIBITOR BRISTOL-MYERS COMPANY (US) 1990-05-22 US disclosed
EP-0355846-A2 Antihypercholesterolemic nitrile compounds Bristol-Myers Squibb Company (US) 1990-02-28 EP disclosed
US-4898949-A Intermediates for the preparation of antihypercholesterolemic tetrazole compounds BRISTOL-MYERS COMPANY (US) 1990-02-06 US disclosed
US-4897490-A DERIVATIVES OF BETA-HYDROXY,OMEGA-DIPHENYL,TETRAZOL-5-YL ALK-OMEGA-ENOIC ACID, ESTER OR LACTONE BRISTOL-MEYERS COMPANY (US) 1990-01-30 US disclosed
WO-1988006584-A1 ANTIHYPERCHOLESTEROLEMIC TETRAZOLE COMPOUNDS BRISTOL-MYERS COMPANY (US) 1988-09-07 WO disclosed