SCHEMBL7096241

SCHEMBL7096241

O=C(O)OCCc1ccc(-c2ccccc2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
MME P08473 4/20 0.44
ACE P12821 3/20 0.44
MGLL Q99685 1/20 0.43
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
HIF1A Q16665 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
S1PR1 P21453 1/20 0.40
DCLRE1A Q6PJP8 1/20 0.40
DCLRE1B Q9H816 1/20 0.40
PTGER4 P35408 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
PDPK1 O15530 1/20 0.39
HPGD P15428 1/20 0.39
SMO Q99835 1/20 0.38
SLC6A9 P48067 1/20 0.38

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
SCHEMBL7092606 0.83 PTGER4 (0.44) MGLLDCLRE1ADCLRE1BPTGER4SMN1; SMN2
SCHEMBL7094668 0.83 AKR1C2 (0.45) ESR2MGLLERCC5FEN1HIF1A
SCHEMBL27449727 0.82 TAAR1 (0.47) HIF1ASMN1; SMN2NPC1
SCHEMBL7090979 0.81 MGLL (0.40) MGLLDCLRE1ADCLRE1BPTGER4SMN1; SMN2
SCHEMBL6695069 0.79 ALDH1A1 (0.47) SMN1; SMN2HPGD
SCHEMBL7391266 0.77 DGAT1 (0.54) ESR2MMEACEERCC5FEN1
SCHEMBL8024134 0.76 MME (0.50) ESR2MMEACEERCC5FEN1
SCHEMBL6299131 0.74 ESR2 (0.57) ESR2MMEACEERCC5FEN1
SCHEMBL458111 0.74 ESR2 (0.52) ESR2MMEACEERCC5FEN1
SCHEMBL11830344 0.74 MME (0.49) ESR2MMEACEERCC5FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970059-B1 DISUBSTITUTED BIPHENYLOXAZOLINES BAYER CROPSCIENCE AG (DE) 2003-08-20 EP disclosed
EP-0970059-A1 DISUBSTITUTED BIPHENYLOXAZOLINES BAYER AG (DE) 2000-01-12 EP disclosed
WO-1998039310-A1 DISUBSTITUTED BIPHENYLOXAZOLINES BAYER AKTIENGESELLSCHAFT (DE) 1998-09-11 WO disclosed