SCHEMBL9711441

SCHEMBL9711441

COC(=O)CCOc1ccc2cc(Oc3ccc(C(F)(F)F)cc3Cl)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.54
MEN1 O00255 1/20 0.47
TTR P02766 1/20 0.47
PPOX P50336 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PPARG P37231 4/20 0.47
PPARD Q03181 5/20 0.46
PPARA Q07869 4/20 0.46
MRGPRX4 Q96LA9 4/20 0.45
LMNA P02545 1/20 0.45
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
KCNH2 Q12809 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL8748928 0.89 FFAR1 (0.54) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10589748 0.88 FFAR1 (0.50) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL3762686 0.86 FFAR1 (0.64) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11183175 0.80 FFAR1 (0.45) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11094682 0.80 FFAR1 (0.48) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL1574572 0.77 MRGPRX4 (0.53) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9759369 0.77 MEN1 (0.67) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL21991262 0.77 ALDH1A1 (0.53) MEN1KMT2APPARGPPARDPPARA
SCHEMBL8354960 0.76 KMT2A (0.58) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL29382403 0.76 FFAR1 (0.51) FFAR1MEN1TTRPPOXKMT2A

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-0315008-B1 DERIVATIVES OF (6-(HETERO)ARYLOXY-NAPHTHALIN-2-YL-OXY)ALCANOIC ACID BAYER AG (DE) 1992-09-09 EP disclosed
US-5079384-A Weed killers, destroy broad leaf plants, postemergence BAYER AKTIENGESELLSCHAFT (DE) 1992-01-07 US disclosed
EP-0315008-A2 Derivatives of (6-(hetero)aryloxy-naphthalin-2-yl-oxy)alcanoic acid BAYER AG (DE) 1989-05-10 EP disclosed