SCHEMBL8076435

SCHEMBL8076435

CC(C)COC(=O)Oc1cc(N)c(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SCN9A Q15858 5/20 0.36
CUL4A Q13619 2/20 0.36
CA2 P00918 2/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SCN5A Q14524 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PPOX P50336 1/20 0.32
CACNA1F O60840 2/20 0.32
CACNA1D Q01668 2/20 0.32
CACNA1S Q13698 2/20 0.32
CACNA1C Q13936 2/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL8088035 0.89 TSHR (0.41) TSHRTDP1L3MBTL1SCN9ACA2
SCHEMBL8604258 0.85 CUL4A (0.49) TSHRCUL4AMAPTSMN1; SMN2ALDH1A1
SCHEMBL8084592 0.83 CUL4A (0.46) CUL4ALMNAMAPTHPGDSMN1; SMN2
SCHEMBL8370837 0.82 NPC1 (0.37) L3MBTL1CUL4AMAPTHPGDALDH1A1
SCHEMBL8603914 0.82 CUL4A (0.39) TSHRTDP1L3MBTL1CUL4ALMNA
SCHEMBL8602332 0.82 RORC (0.35) SCN9ACUL4ALMNAMAPTHPGD
SCHEMBL11806580 0.81 TSHR (0.63) TSHRTDP1L3MBTL1CUL4ACA2
SCHEMBL8598738 0.80 ELANE (0.43) TSHRTDP1L3MBTL1CUL4ALMNA
SCHEMBL8602520 0.80 CUL4A (0.33) TSHRCUL4ALMNAMAPTHPGD
SCHEMBL8084425 0.80 TSHR (0.40) TSHRTDP1L3MBTL1CUL4ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0493606-B1 HETEROCYCLE-SUBSTITUTED BENZENE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEM RES (JP) 2000-10-18 EP disclosed
EP-1006105-A1 Benzene derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 2000-06-07 EP disclosed
US-5464811-A Benzene derivatives substituted with heterocyclic ring and herbicides containing same as active ingredients SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-11-07 US disclosed
US-5424277-A An N-substituted-3,4,5,6-tetrahydrophthalimide derivative characterized by having a cycloalkoxy group at the 5-position of the phenyl ring on the nitrogen SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-06-13 US disclosed
EP-0493606-A1 HETEROCYCLE-SUBSTITUTED BENZENE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-08 EP disclosed