SCHEMBL9313686

SCHEMBL9313686

Oc1cccc2c(Oc3ccc(C(F)(F)F)cc3F)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
TRPA1 O75762 1/20 0.40
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SCN8A Q9UQD0 3/20 0.38
SCN10A Q9Y5Y9 3/20 0.38
BRAF P15056 4/20 0.37
BRD4 O60885 1/20 0.36
STK39 Q9UEW8 1/20 0.36
MEN1 O00255 1/20 0.36
JAK2 O60674 1/20 0.36
USP2 O75604 1/20 0.36
ESR1 P03372 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ESR2 Q92731 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL9644001 0.84 STK39 (0.47) STK39ESR1ESR2
SCHEMBL9314085 0.84 ESR1 (0.37) MAPTNPSR1SCN8ASCN10AMEN1
SCHEMBL9643981 0.79 ESR1 (0.41) MAPTNPSR1L3MBTL1BRAFMEN1
SCHEMBL9324852 0.79 HPGD (0.54) KDM4EMAPTNPSR1L3MBTL1MEN1
SCHEMBL9520497 0.78 CCR1 (0.39) TRPA1MAPTNPSR1L3MBTL1SCN8A
SCHEMBL9315073 0.77 PTGDR2 (0.51) SCN8ASCN10AKMT2A
SCHEMBL9617276 0.77 PTGDR2 (0.51) SCN8ASCN10AKMT2A
SCHEMBL9313717 0.76 PTGDR2 (0.41) NPSR1SCN8ASCN10ABRAF
SCHEMBL9710658 0.76 AR (0.42) KDM4ETRPA1MAPTNPSR1MEN1
SCHEMBL9313708 0.76 F9 (0.43) NPSR1SCN8ASCN10ABRAF

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 3 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-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