SCHEMBL10644584

SCHEMBL10644584

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.50
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TTR P02766 1/20 0.45
PPOX P50336 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SCN9A Q15858 3/20 0.42
HTR2A P28223 3/20 0.41
SLC6A4 P31645 3/20 0.41
KCNH2 Q12809 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL11265453 0.92 FFAR1 (0.56) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL10643435 0.91 FFAR1 (0.47) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL10644204 0.86 FFAR1 (0.52) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL9633459 0.86 FFAR1 (0.52) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL8918684 0.85 FFAR1 (0.58) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL204622 0.85 FFAR1 (0.58) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL10642883 0.85 FFAR1 (0.53) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL11098082 0.85 FFAR1 (0.47) FFAR1MEN1KMT2ATTRPPOX
Hydrochloric Acid SCHEMBL10642889 0.84 FFAR1 (0.57) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL10644341 0.84 FFAR1 (0.52) FFAR1MEN1KMT2ATTRPPOX

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
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
EP-0179015-A1 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) 1986-04-23 EP claimed