SCHEMBL9835945

SCHEMBL9835945

CC(C)Oc1cc(N(F)C(=O)Cl)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
BACE1 P56817 1/20 0.36
RORC P51449 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.33
FFAR4 Q5NUL3 4/20 0.33
MAP2 P11137 1/20 0.33
PDK1 Q15118 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL9836600 0.87 RORC (0.40) KCNQ3KCNQ2RXRARXRBRXRG
SCHEMBL9834552 0.85 RXRA (0.36) KCNQ3KCNQ2RXRARXRBRXRG
SCHEMBL9836314 0.83 GRM4 (0.42) BACE1LMNA
SCHEMBL9836984 0.72 GRM4 (0.42) ALDH1A1LMNA
SCHEMBL9836438 0.70 FBP1 (0.32)
SCHEMBL9836953 0.70 RORC (0.41) KCNQ3KCNQ2RXRARXRBRXRG
SCHEMBL27859538 0.70 MAOB (0.41) KCNQ3KCNQ2BACE1IDO1TDO2
SCHEMBL11916155 0.69 HTR1A (0.41) IRAK4HPGD
SCHEMBL9835655 0.69 GRM4 (0.41) BACE1LMNA
SCHEMBL9837234 0.69 RORC (0.40) KCNQ3KCNQ2RORCALDH1A1LMNA

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-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 EP disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 US disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 US disclosed
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 EP disclosed