SCHEMBL9711445

SCHEMBL9711445

Oc1ccc2cc(Oc3ccc(C(F)(F)F)cc3Cl)ccc2c1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.53
MEN1 O00255 1/20 0.52
TTR P02766 1/20 0.52
PPOX P50336 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
STK39 Q9UEW8 2/20 0.46
HTR2A P28223 4/20 0.45
SLC6A4 P31645 4/20 0.45
KCNH2 Q12809 4/20 0.45
RAB9A P51151 1/20 0.44
MRGPRX4 Q96LA9 3/20 0.42

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
SCHEMBL6238335 0.97 FFAR1 (0.51) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL8684467 0.88 FFAR1 (0.61) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10615136 0.85 FFAR1 (0.55) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL32669004 0.85 FFAR1 (0.55) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL8749364 0.84 RAB9A (0.61) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11095176 0.83 FFAR1 (0.65) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9711424 0.82 RAB9A (0.46) MEN1KMT2ARAB9A
SCHEMBL11436072 0.82 FFAR1 (0.52) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10721540 0.81 FFAR1 (0.49) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL8749287 0.81 MRGPRX4 (0.47) 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