SCHEMBL9199757

SCHEMBL9199757

C#CC(=O)Oc1cccc(C)c1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.52
PTGER4 P35408 4/20 0.48
PTGER3 P43115 4/20 0.48
PTGER2 P43116 4/20 0.48
PTGER1 P34995 3/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTR1A P08908 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 1/20 0.43
LIPE Q05469 1/20 0.42
EDNRA P25101 1/20 0.41

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
SCHEMBL8896541 0.83 PTPN1 (0.72) PTPN1PTGER4PTGER3PTGER2PTGER1
SCHEMBL19612388 0.78 L3MBTL1 (0.67) PTPN1PTGER4PTGER3PTGER2PTGER1
SCHEMBL28129455 0.76 TDP1 (0.44) RXRARXRBRXRGSMN1; SMN2L3MBTL1
SCHEMBL9199759 0.76 PTGER1 (0.49) PTPN1PTGER4PTGER3PTGER2PTGER1
SCHEMBL14176616 0.75 HTR1A (0.70) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL8897583 0.75 PTPN1 (0.60) PTPN1PTGER4PTGER3PTGER2PTGER1
SCHEMBL18716386 0.74 HTR1A (0.61) PTPN1PTGER4PTGER3PTGER2PTGER1
SCHEMBL6903476 0.73 HTR1A (0.55) PTPN1PTGER4PTGER3PTGER2PTGER1
SCHEMBL9209393 0.73 NR4A1 (0.58) SMN1; SMN2L3MBTL1MAPTMAOB
SCHEMBL1396290 0.73 ALDH1A1 (0.57) PTPN1PTGER4PTGER3PTGER2PTGER1

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