SCHEMBL8487140

SCHEMBL8487140

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRB P10828 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MLYCD O95822 1/20 0.36
SMO Q99835 1/20 0.36
P2RX7 Q99572 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL8490491 0.90 NR1H4 (0.41) HTTALDH1A1L3MBTL1NR1H4TSHR
SCHEMBL8488004 0.88 HTT (0.45) HTTALDH1A1THRBTSHRKMT2A
SCHEMBL8491581 0.88 NR1H4 (0.36) HTTALDH1A1L3MBTL1NR1H4TSHR
SCHEMBL8491675 0.87 NR1H4 (0.36) HTTALDH1A1L3MBTL1NR1H4KMT2A
SCHEMBL8492713 0.87 NR1H2 (0.37) HTTALDH1A1L3MBTL1NR1H4MLYCD
SCHEMBL8488638 0.86 HTT (0.44) HTTALDH1A1THRBTSHRKMT2A
SCHEMBL8491826 0.86 HTT (0.44) HTTALDH1A1THRBTSHRKMT2A
SCHEMBL8525752 0.86 NR1H4 (0.41) HTTALDH1A1NR1H4NPSR1MLYCD
SCHEMBL9116715 0.85 HTT (0.41) HTTALDH1A1THRBTSHRKMT2A
SCHEMBL8488086 0.85 MLYCD (0.40) HTTALDH1A1THRBMLYCDPTGDR2

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-1999003856-A1 4-BENZOYL-ISOXAZOLE- AND -PYRAZOLE DERIVATIVES AND 2-CYANO 1,3-DIONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-28 WO disclosed