SCHEMBL8109524

SCHEMBL8109524

CSc1ccc(C(=O)CC(=O)C2CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.54
PLK1 P53350 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
SLC6A4 P31645 2/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL8115931 0.78 MAPT (0.36) HAO1PLK1ALDH1A1
SCHEMBL10660683 0.77 HAO1 (0.58) HAO1PLK1TAS1R3TAS1R1MMP2
SCHEMBL19806141 0.77 PLOD2 (0.53) DRD2ALDH1A1HPGDSMN1; SMN2SIGMAR1
SCHEMBL19806639 0.77 ERCC5 (0.55) ALDH1A1LMNAKDM4E
SCHEMBL4575322 0.77 GSK3B (0.52) HAO1SMN1; SMN2
SCHEMBL8610054 0.77 TAS1R3 (0.46) TAS1R3TAS1R1SLC6A4ALDH1A1HPGD
SCHEMBL4707187 0.77 HAO1 (0.62) HAO1PLK1TAS1R3TAS1R1MMP2
SCHEMBL4842868 0.77 HAO1 (0.67) HAO1PLK1TAS1R3TAS1R1MMP2
SCHEMBL4251157 0.77 MEN1 (0.61) HAO1ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL5187629 0.77 SLC18A3 (0.56) PLK1ALDH1A1LMNASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524018-B1 Isoxazole herbicides RHONE POULENC AGRICULTURE (GB) 2000-10-18 EP disclosed
US-5424276-A Herbicidal 4-acyl-5-pyridylisoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1995-06-13 US disclosed
US-5366957-A Plant growth regulators RHONE-POULENC ARGRICULTURE LTD (GB) 1994-11-22 US disclosed
EP-0524018-A1 Isoxazole herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-01-20 EP disclosed