SCHEMBL9836729

SCHEMBL9836729

CCC(=O)OC1CC=CC1O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
BCHE P06276 1/20 0.33
PRKCA P17252 6/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
WRN Q14191 1/20 0.31
HIF1A Q16665 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
SCHEMBL7224503 0.76
SCHEMBL28199169 0.73 MAPK1 (0.33) CHRM2CHRM4CHRM1CHRM3
SCHEMBL7499029 0.71
SCHEMBL28199159 0.71 NFKB1 (0.40) BCHE
SCHEMBL28039500 0.71 NFKB1 (0.40) BCHE
SCHEMBL8393843 0.70 NAAA (0.36) CHRM2CHRM4CHRM1CHRM3BCHE
SCHEMBL17836875 0.69 CHRM2 (0.35) CHRM2CHRM4CHRM1CHRM3
SCHEMBL1427774 0.69 POLB (0.41) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL1203112 0.69 CHRM2 (0.35) CHRM2CHRM4CHRM1CHRM3
SCHEMBL28334522 0.68 CHRM2 (0.35) CHRM2CHRM4CHRM1CHRM3

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