SCHEMBL9834552

SCHEMBL9834552

CC(C)Oc1cc(N(F)C(=O)Cl)ccc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
BACE1 P56817 1/20 0.34
RORC P51449 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.33
XDH P47989 1/20 0.32
PDK1 Q15118 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ACHE P22303 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL9835945 0.85 KCNQ3 (0.38) RXRARXRBRXRGKCNQ3KCNQ2
SCHEMBL9836600 0.84 RORC (0.40) RXRARXRBRXRGKCNQ3KCNQ2
SCHEMBL30462807 0.71 FFAR1 (0.38) IRAK4ALDH1A1ACHEHTR2AHTR2C
SCHEMBL4929592 0.71 FFAR1 (0.38) IRAK4ALDH1A1ACHEHTR2AHTR2C
SCHEMBL9836314 0.71 GRM4 (0.42) BACE1LMNARAB9AGRM4
SCHEMBL9836984 0.70 GRM4 (0.42) ALDH1A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL977072 0.69 KMT2A (0.53) RXRARXRBRXRGXDHALDH1A1
SCHEMBL9836438 0.68 FBP1 (0.32) SMN1; SMN2GRM4
SCHEMBL9836953 0.68 RORC (0.41) RXRARXRBRXRGKCNQ3KCNQ2
SCHEMBL4677324 0.68 MAOB (0.41) RORCIRAK4XDHALDH1A1ACHE

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