SCHEMBL9199753

SCHEMBL9199753

C#CC(=O)OC1C=CC=CC1(C)OCc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.34
CYP3A4 P08684 4/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 3/20 0.34
TSHR P16473 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALOX15 P16050 1/20 0.32
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAOB P27338 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL5284629 0.76 ALDH1A1 (0.39) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL2331142 0.74 ALDH1A1 (0.41) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL28499236 0.72 TSHR (0.35) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL5289688 0.71 ALDH1A1 (0.36) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL907611 0.65 ALDH1A1 (0.57) ALDH1A1KMT2ATSHRSMN1; SMN2
SCHEMBL8882203 0.64 KMT2A (0.41) ALDH1A1MEN1KMT2ATSHRSLC1A3
SCHEMBL8614585 0.64 ALDH1A1 (0.34) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL7132195 0.63 ALDH1A1 (0.38) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL23536852 0.63 ALDH1A1 (0.37) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL8545819 0.63 SLC1A3 (0.35) ALDH1A1CYP3A4MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0489877-B1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 2-AMINO-6-PHENYL-4H-PYRAN-4-ONES UPJOHN CO (US) 1995-09-20 EP disclosed
US-5302613-A Antiatheroscleroic and antithrombotic 2-amino-6-phenyl-4H-pyran-4-ones THE UPJOHN COMPANY (US) 1994-04-12 US disclosed
US-5252735-A Antiatherosclerotic and antithrombotic 2-amino-6-phenyl-4H-pyran-4-ones THE UPJOHN COMPANY (US) 1993-10-12 US disclosed
EP-0489877-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 2-AMINO-6-PHENYL-4H-PYRAN-4-ONES. UPJOHN CO (US) 1992-06-17 EP disclosed
WO-1992000290-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 2-AMINO-6-PHENYL-4H-PYRAN-4-ONES THE UPJOHN COMPANY (US) 1992-01-09 WO disclosed