SCHEMBL6966959

SCHEMBL6966959

CCOC(=O)Oc1noc(C2CC2)c1C(=O)c1ccccc1CBr

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
HCRTR2 O43614 2/20 0.33
NR1H4 Q96RI1 3/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
RECQL P46063 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6292089 0.84 TSHR (0.38) HCRTR2TSHRKDM4ERAB9AALDH1A1
SCHEMBL8752765 0.76 GPBAR1 (0.32) NR1H4TSHRGPBAR1
SCHEMBL8822162 0.76 NR1H4 (0.30) NR1H4GPBAR1
SCHEMBL8822166 0.75 NR1H4 (0.31) NR1H4GPBAR1
SCHEMBL8822199 0.74 NPC1 (0.34) NR1H4GPBAR1KMT2AMAPT
SCHEMBL6560302 0.72 CACNA1B (0.36) NR1H4RAB9AKMT2AMEN1ALOX15
SCHEMBL8890586 0.72 ALDH1A1 (0.37) HCRTR2TSHRKDM4EALDH1A1MAPT
SCHEMBL9116296 0.72 TSHR (0.36) HCRTR2TSHRKDM4EKMT2AMEN1
SCHEMBL9115275 0.71 TSHR (0.36) HCRTR2TSHRKDM4EKMT2AALDH1A1
SCHEMBL9113480 0.71 HCRTR2 (0.37) HCRTR2TSHRALDH1A1MAPTHSD17B10

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-1178987-B1 SUBSTITUTED BENZOYLISOXAZOLES AND THE USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2003-08-13 EP claimed
JP-2002544131-A 2002-12-24 JP claimed
EP-1178987-A1 SUBSTITUTED BENZOYLISOXAZOLES AND THE USE THEREOF AS HERBICIDES Bayer Aktiengesellschaft (DE) 2002-02-13 EP claimed
WO-2000068227-A1 SUBSTITUTED BENZOYLISOXAZOLES AND THE USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-16 WO claimed
EP-1178987-B1 SUBSTITUTED BENZOYLISOXAZOLES AND THE USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2003-08-13 EP disclosed
EP-1178987-A1 SUBSTITUTED BENZOYLISOXAZOLES AND THE USE THEREOF AS HERBICIDES Bayer Aktiengesellschaft (DE) 2002-02-13 EP disclosed
WO-2000068227-A1 SUBSTITUTED BENZOYLISOXAZOLES AND THE USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed