SCHEMBL9836705

SCHEMBL9836705

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
RORC P51449 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GRM4 Q14833 2/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
CASP3 P42574 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 2/20 0.35

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
SCHEMBL9836764 0.88 SMN1; SMN2 (0.39) IDO1TDO2RORCKDM4ESMN1; SMN2
SCHEMBL9837673 0.87 RORC (0.48) RORCKDM4ESMN1; SMN2GRM4HPGD
SCHEMBL9834244 0.80 ALDH1A1 (0.43) KDM4ESMN1; SMN2HPGDNPC1RAB9A
SCHEMBL9836339 0.78 DHODH (0.40) RORCNPC1RAB9AKCNQ3KCNQ2
SCHEMBL9835875 0.78 SMN1; SMN2 (0.46) IDO1TDO2RORCKDM4ESMN1; SMN2
SCHEMBL9835939 0.77 MAPT (0.51) SMN1; SMN2HPGDNPC1RAB9ACYP1A2
SCHEMBL9836883 0.77 GRM4 (0.46) IDO1TDO2SMN1; SMN2GRM4HPGD
SCHEMBL9835793 0.77 RORC (0.45) RORCKDM4ESMN1; SMN2GRM4HPGD
SCHEMBL9835863 0.74 SMN1; SMN2 (0.44) KDM4ESMN1; SMN2HPGDNPC1RAB9A
SCHEMBL9836398 0.74 RORC (0.49) RORCKDM4ESMN1; SMN2GRM4HPGD

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