SCHEMBL10643290

SCHEMBL10643290

CC(Oc1ccc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2c1)C(=O)OCCCBr

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TTR P02766 1/20 0.43
PPOX P50336 1/20 0.43
PPARD Q03181 2/20 0.42
PPARA Q07869 1/20 0.42
HTR2A P28223 2/20 0.39
SLC6A4 P31645 2/20 0.39
KCNH2 Q12809 2/20 0.39
MRGPRX4 Q96LA9 2/20 0.37
PPARG P37231 3/20 0.37
GAA P10253 1/20 0.36
SLC22A12 Q96S37 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
SCHEMBL10643426 0.92 FFAR1 (0.49) FFAR1MEN1KMT2ATDP1TTR
SCHEMBL10646337 0.92 FFAR1 (0.49) FFAR1MEN1KMT2ATDP1TTR
SCHEMBL10643331 0.89 FFAR1 (0.50) FFAR1MEN1KMT2ATDP1TTR
SCHEMBL10644002 0.89 FFAR1 (0.50) FFAR1MEN1KMT2ATDP1TTR
SCHEMBL10643355 0.89 FFAR1 (0.49) FFAR1MEN1KMT2ATDP1TTR
SCHEMBL10646293 0.89 FFAR1 (0.49) FFAR1MEN1KMT2ATDP1TTR
SCHEMBL10643884 0.87 FFAR1 (0.52) FFAR1MEN1KMT2ATDP1TTR
SCHEMBL10646108 0.87 FFAR1 (0.52) FFAR1MEN1KMT2ATDP1TTR
SCHEMBL9633459 0.87 FFAR1 (0.52) FFAR1MEN1KMT2ATDP1TTR
SCHEMBL10644204 0.87 FFAR1 (0.52) FFAR1MEN1KMT2ATDP1TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0179015-B1 7-(ARYLOXY)-2-NAPHTHOXYALKANECARBOXYLIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION OF THESE COMPOUNDS, AS WELL AS AGENTS HAVING HERBICIDAL ACTIVITY CONTAINING THESE COMPOUNDS SCHERING AKTIENGESELLSCHAFT (DE) 1988-04-13 EP claimed
US-4709077-A 7-(aryloxy)-2-naphthoxyalkanecarboxylic acid derivatives, processes for the preparation of these compounds, as well as agents having herbicidal activity containing these compounds SCHERING AKTIENGESELLSCHAFT (DE) 1987-11-24 US claimed