SCHEMBL9769759

SCHEMBL9769759

COCCOC(=O)C1CCCCC1C(=O)Nc1cc(OC(C)C)c(Cl)cc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
PPOX P50336 3/20 0.39
DHODH Q02127 4/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 2/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL9769699 0.89 PPOX (0.46) TSHRPPOXDHODHGLAHTT
SCHEMBL8895253 0.74 PPOX (0.42) TSHRPPOXDHODHL3MBTL1
SCHEMBL9769706 0.74 PPOX (0.43) TSHRPPOXGLAHTTTAS1R3
SCHEMBL9619955 0.73 PPOX (0.42) TSHRPPOXDHODHTAS1R3TAS1R1
SCHEMBL9769666 0.72 RAB9A (0.44) TSHRGLAHTTTAS1R3TAS1R1
SCHEMBL9836594 0.71 RORC (0.47) PPOXDHODHNPSR1LMNATP53
SCHEMBL10576902 0.70 P2RX3 (0.46) TSHRPPOXDHODHNPSR1LMNA
SCHEMBL10940940 0.70 PPOX (0.44) TSHRPPOXDHODHALDH1A1MAPK1
SCHEMBL10576407 0.70 RORC (0.46) PPOXDHODHGLANPSR1LMNA
SCHEMBL10619915 0.69 DHODH (0.37) TSHRPPOXDHODHNPSR1LMNA

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
JP-2083359-A None JP disclosed
US-5068365-A Herbicides TOSOH CORPORATION (JP) 1991-11-26 US disclosed
JP-H0283359-A HEXAHYDROPHTHALIC ACID ANILIDE DERIVATIVE, ITS PRODUCTION AND HERBICIDE CONTAINING THE SAME DERIVATIVE AS ACTIVE COMPONENT TOSOH CORP 1990-03-23 JP disclosed
EP-0326764-A2 Hexahydrophthalic anilide derivatives and herbicide compositions containing the same Tosoh Corporation (JP) 1989-08-09 EP disclosed