SCHEMBL9204751

SCHEMBL9204751

CC(=O)Oc1ccc(C(=O)C(F)(F)C(C)=O)cc1.[B]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.51
HSD17B10 Q99714 1/20 0.50
LMNA P02545 6/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ESR1 P03372 1/20 0.45
PGR P06401 1/20 0.45
CHRM2 P08172 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
AR P10275 1/20 0.45
CHRM1 P11229 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MAPT P10636 5/20 0.44
POLB P06746 2/20 0.44
PKM P14618 2/20 0.44
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.41
HSP90AA1 P07900 1/20 0.41
TDP1 Q9NUW8 2/20 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
SCHEMBL9541163 0.84 ELANE (0.56) ELANEHSD17B10LMNAMEN1KMT2A
SCHEMBL11815870 0.78 ELANE (0.58) ELANEHSD17B10LMNAMEN1KMT2A
SCHEMBL23142838 0.77 ELANE (0.56) ELANEHSD17B10LMNAMEN1KMT2A
SCHEMBL9541096 0.77 ELANE (0.56) ELANEHSD17B10LMNAMEN1KMT2A
SCHEMBL9339013 0.75 ELANE (0.83) ELANEHSD17B10LMNAMEN1KMT2A
SCHEMBL269329 0.74 LMNA (0.80) ELANEHSD17B10LMNAMEN1KMT2A
SCHEMBL26120207 0.74 ELANE (0.62) ELANEHSD17B10LMNAMEN1KMT2A
SCHEMBL524182 0.74 CES1 (0.61) HSD17B10MAPTPOLBALDH1A1TDP1
SCHEMBL9762610 0.73 ELANE (0.67) ELANEHSD17B10LMNAMEN1KMT2A
SCHEMBL5831549 0.73 ELANE (0.67) ELANEHSD17B10LMNAMEN1KMT2A

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