SCHEMBL9328660

SCHEMBL9328660

CC=CC(O)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.48
CES2 O00748 4/20 0.48
LMNA P02545 3/20 0.48
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALKBH5 Q6P6C2 1/20 0.42
PGR P06401 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
KCNH2 Q12809 1/20 0.42
MDM2 Q00987 1/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 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
SCHEMBL28765800 0.80 PGR (0.46) CES1CES2LMNATDP1L3MBTL1
SCHEMBL8263642 0.78 CES2 (0.50) CES1CES2ALDH1A1MAPT
SCHEMBL1088403 0.77 CES2 (0.54) CES1CES2LMNATDP1L3MBTL1
SCHEMBL28303311 0.76 CES2 (0.48) CES1CES2LMNATDP1L3MBTL1
SCHEMBL45241 0.75 LMNA (0.52) CES1CES2LMNATDP1L3MBTL1
SCHEMBL20165420 0.73 KMT2A (0.39) CES1CES2LMNATDP1L3MBTL1
SCHEMBL31513113 0.72 CES1 (0.54) CES1CES2LMNATDP1L3MBTL1
SCHEMBL9435040 0.72 LMNA (0.48) CES1CES2LMNATDP1L3MBTL1
SCHEMBL9435037 0.72 LMNA (0.48) CES1CES2LMNATDP1L3MBTL1
SCHEMBL10583218 0.72 LMNA (0.44) CES1CES2LMNATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0454728-B1 FLUORINATED FLAVONE ACETIC ACID UPJOHN CO (US) 1994-03-16 EP disclosed
US-5238954-A Antitumor agents THE UPJOHN COMPANY (US) 1993-08-24 US disclosed
EP-0454728-A1 FLUORINATED FLAVONE ACETIC ACID. UPJOHN CO (US) 1991-11-06 EP disclosed
EP-0389607-A1 CHROMONE DERIVATIVES BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 1990-10-03 EP disclosed
WO-1990008143-A1 FLUORINATED FLAVONE ACETIC ACID THE UPJOHN COMPANY (US) 1990-07-26 WO disclosed
WO-1990002741-A1 CHROMONE DERIVATIVES BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 1990-03-22 WO disclosed
US-4146631-A ANTIALLERGENS, RESPIRATORY DISORDERS MAY & BAKER LIMITED (GB) 1979-03-27 US disclosed