SCHEMBL8553761

SCHEMBL8553761

O=C(Nc1cccc(C(F)(F)F)c1)C(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 2/20 0.58
CYP1A2 P05177 1/20 0.58
POLB P06746 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
MAPT P10636 6/20 0.57
HTT P42858 2/20 0.57
RAB9A P51151 1/20 0.57
PPIA P62937 1/20 0.54
GRIK1 P39086 1/20 0.54
XBP1 P17861 2/20 0.54
KDM4E B2RXH2 2/20 0.54
ALOX12 P18054 2/20 0.54
RXFP1 Q9HBX9 2/20 0.54
GAA P10253 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SLC1A3 P43003 1/20 0.53

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
SCHEMBL8604714 0.83 PDK1 (0.53) ALDH1A1POLBMAPTHTTRAB9A
SCHEMBL19688778 0.81 MGLL (0.76) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL20029049 0.79 MGLL (0.59) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8090351 0.79 MEN1 (0.66) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL21880132 0.79 MEN1 (0.59) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL964881 0.79 MEN1 (0.78) MEN1KMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL21880131 0.79 MEN1 (0.59) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL10180792 0.78 MEN1 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL333131 0.78 ALDH1A1 (0.62) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5019032 0.77 MEN1 (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1203599-A Substitued pyrrolidinone, thiazolidinone or oxazolidinone as herbicides ZENECA LTD (GB) 1998-12-30 CN disclosed
EP-0863894-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES ZENECA LIMITED (GB) 1998-09-16 EP disclosed
EP-0828720-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 5-HYDROXY-OXAZOLIDIN-4-ONE ZENECA LIMITED (GB) 1998-03-18 EP disclosed
US-5705456-A AZETIDIN-2-ONES ZENECA LIMITED (GB) 1998-01-06 US disclosed
US-5688962-A Cyclization process for making oxazolikinones ZENECA LIMITED (GB) 1997-11-18 US disclosed
WO-1997020838-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES ZENECA LIMITED (GB) 1997-06-12 WO disclosed
EP-0763020-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1997-03-19 EP disclosed
WO-1996037483-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 5-HYDROXY-OXAZOLIDIN-4-ONE ZENECA LIMITED (GB) 1996-11-28 WO disclosed
WO-1995033719-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 WO disclosed