SCHEMBL9314751

SCHEMBL9314751

CCOC(=O)C(C)Oc1cccc2c(Oc3ccc(C(F)(F)F)cc3)cccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 12/20 0.50
RORA P35398 5/20 0.46
KDM4E B2RXH2 5/20 0.46
NPC1 O15118 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
IDH1 O75874 1/20 0.44
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL9840490 0.85 PTGDR2 (0.47) KMT2A
SCHEMBL9811752 0.84 MRGPRX4 (0.48) NR5A1RORAKDM4ENPC1NPSR1
SCHEMBL403443 0.82 IDH1 (0.55) NPSR1ALDH1A1IDH1LMNAL3MBTL1
SCHEMBL11210510 0.82 IDH1 (0.51) KDM4ENPC1ALDH1A1IDH1LMNA
SCHEMBL3990976 0.81 IDH1 (0.58) NPSR1MAPTIDH1LMNAL3MBTL1
SCHEMBL9571180 0.80 HPGD (0.44) NR5A1RORAKDM4ENPC1NPSR1
SCHEMBL9571181 0.79 HPGD (0.59) ALDH1A1LMNAL3MBTL1HPGDKMT2A
SCHEMBL10646208 0.79 IDH1 (0.50) KDM4EALDH1A1IDH1LMNAL3MBTL1
SCHEMBL11083861 0.78 IDH1 (0.52) ALDH1A1MAPTIDH1LMNAL3MBTL1
SCHEMBL11154363 0.77 LMNA (0.53) NR5A1KDM4EALDH1A1MAPTIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5300676-A Herbicidal fluorine-substituted alpha-(5-aryloxynaphthalen-1-yl-oxy)-propionic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
EP-0534239-A2 Derivatives of alpha-(5-dichlorphenoxy-naphthalen-1-yl-oxy)propionic acid as herbicides BAYER AG (DE) 1993-03-31 EP disclosed
WO-1992018467-A1 CYANOPHENOXYNAPHTHYL OXYCARBOXYLIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1992-10-29 WO disclosed
EP-0508263-A2 Derivatives of alpha-(5 aryloxy-1 naphthyloxy)-carboxylic acid BAYER AG (DE) 1992-10-14 EP disclosed
EP-0453842-A2 Fluor subsituted derivatives of alpha-(5-aryloxy-naphthalen-1-yloxy)propionic acid BAYER AG (DE) 1991-10-30 EP disclosed