SCHEMBL10507700

SCHEMBL10507700

O=C(O)Cc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.62
MRGPRX4 Q96LA9 8/20 0.55
PPARD Q03181 2/20 0.52
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
THRA P10827 2/20 0.51
THRB P10828 2/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48

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
SCHEMBL10507578 0.90 FFAR1 (0.56) FFAR1MRGPRX4PPARDMEN1TTR
SCHEMBL3523039 0.88 FFAR1 (0.77) FFAR1MRGPRX4PPARDMEN1TTR
SCHEMBL10508984 0.88 FFAR1 (0.53) FFAR1MRGPRX4PPARDMEN1TTR
SCHEMBL10688351 0.85 FFAR1 (0.54) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL10509502 0.84 MRGPRX4 (0.57) FFAR1MRGPRX4PPARDPPARGPPARA
SCHEMBL4441503 0.84 THRB (0.57) FFAR1MRGPRX4PPARDTHRATHRB
SCHEMBL10509245 0.83 FFAR1 (0.52) FFAR1MRGPRX4PPARDMEN1TTR
SCHEMBL1008610 0.83 THRB (0.49) FFAR1PPARDTHRATHRBPTGDR2
SCHEMBL10693814 0.83 MRGPRX4 (0.52) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL10509965 0.82 FFAR1 (0.51) FFAR1MRGPRX4PPARDMEN1TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161529-B1 2-NITRO-5-(2'-CHLORO-4'TRIFLUOROMETHYLPHENOXY)PHENYLACETIC ESTER, THIOESTER AND AMIDE, PROCESS FOR PREPARATION THEROF, HERBICIDAL COMPOSITION, AND METHOD FOR DESTRUCTION OF UNDESIRABLE WEEDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1989-07-12 EP claimed
EP-0161529-A2 2-nitro-5-(2'-chloro-4'trifluoromethylphenoxy)phenylacetic ester, thioester and amide, process for preparation therof, herbicidal composition, and method for destruction of undesirable weeds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1985-11-21 EP claimed
EP-0161529-B1 2-NITRO-5-(2'-CHLORO-4'TRIFLUOROMETHYLPHENOXY)PHENYLACETIC ESTER, THIOESTER AND AMIDE, PROCESS FOR PREPARATION THEROF, HERBICIDAL COMPOSITION, AND METHOD FOR DESTRUCTION OF UNDESIRABLE WEEDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1989-07-12 EP disclosed
US-4698094-A 2-nitro-5-(2'chloro-4'trifluoromethylphenoxy)-phenylacetic esters, herbicidal composition, and method for destruction of undesirable weeds ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1987-10-06 US disclosed
EP-0161529-A2 2-nitro-5-(2'-chloro-4'trifluoromethylphenoxy)phenylacetic ester, thioester and amide, process for preparation therof, herbicidal composition, and method for destruction of undesirable weeds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1985-11-21 EP disclosed