SCHEMBL9836764

SCHEMBL9836764

CCCC=C(C)C(OC(=O)Nc1ccc(F)c(OC(C)C)c1)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
RORC P51449 1/20 0.36
CASP3 P42574 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GRM4 Q14833 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 3/20 0.34
ALOX15 P16050 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL9836705 0.88 IDO1 (0.41) SMN1; SMN2IDO1TDO2RORCCASP3
SCHEMBL9836956 0.83 RORC (0.42) SMN1; SMN2RORCKDM4EGRM4ALDH1A1
SCHEMBL9835793 0.80 RORC (0.45) SMN1; SMN2RORCKDM4EGRM4ALDH1A1
SCHEMBL9835438 0.80 MAPT (0.48) SMN1; SMN2ALDH1A1MAPTHPGDNPC1
SCHEMBL9835875 0.77 SMN1; SMN2 (0.46) SMN1; SMN2IDO1TDO2RORCCASP3
SCHEMBL9837673 0.75 RORC (0.48) SMN1; SMN2RORCKDM4EGRM4MAPT
SCHEMBL9834578 0.75 SMN1; SMN2 (0.41) SMN1; SMN2IDO1TDO2CASP3MAPT
SCHEMBL9836883 0.72 GRM4 (0.46) SMN1; SMN2IDO1TDO2GRM4ALDH1A1
SCHEMBL9836398 0.70 RORC (0.49) SMN1; SMN2RORCKDM4EGRM4MAPT
SCHEMBL9837008 0.69 L3MBTL1 (0.48) SMN1; SMN2KDM4EALDH1A1MAPTMAPK1

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