SCHEMBL9540436

SCHEMBL9540436

C/C=C/CCCOC([O])=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PTGS2 P35354 1/20 0.38
PDE4D Q08499 1/20 0.38
FAAH O00519 3/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ATM Q13315 1/20 0.34
MGLL Q99685 1/20 0.34
EPHX2 P34913 2/20 0.33
THRB P10828 1/20 0.33
CNR1 P21554 1/20 0.33
LPAR3 Q9UBY5 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL9540438 1.00 NR1I2 (0.38) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL9541019 0.86
SCHEMBL9541023 0.86
SCHEMBL14775484 0.84 ALDH1A1 (0.40) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL7555801 0.83 ALDH1A1 (0.52) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL31548 0.83 ALDH1A1 (0.52) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL9540440 0.83 PGR (0.38) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL9782649 0.83 ALDH1A1 (0.52) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL9752658 0.81 NR1I2 (0.37) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL15067133 0.81 ALOX15 (0.44) NR1I2PGRADORA3PTGS2PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993011669-A1 USE OF 3-PHENYLURACIL DERIVATIVES FOR THE DESICCATION AND ABSCISSION OF PLANT PARTS BASF AKTIENGESELLSCHAFT (DE) 1993-06-24 WO disclosed