SCHEMBL10623679

SCHEMBL10623679

COC(=O)CSc1nc2cc(Oc3ccc(C(F)(F)F)cc3Cl)ccc2o1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.45
▸ LMNA P02545 3/20 0.44
▸ FFAR1 O14842 3/20 0.44
▸ AGPAT2 O15120 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ TTR P02766 1/20 0.41
▸ PPOX P50336 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL10621094 0.83 FFAR1 (0.43) LMNAFFAR1AGPAT2KMT2AMEN1
SCHEMBL10727592 0.75 AGPAT2 (0.51) PTGS2FFAR1AGPAT2KMT2AMEN1
SCHEMBL10608354 0.74 FFAR1 (0.42) FFAR1KMT2AMEN1TTRPPOX
SCHEMBL10621865 0.72 CBX7 (0.47) FFAR1KMT2AMEN1TTRPPOX
SCHEMBL10724906 0.72 MEN1 (0.52) FFAR1AGPAT2KMT2AMEN1TTR
SCHEMBL11123547 0.72 LMNA (0.51) PTGS2LMNAKMT2AMEN1TDP1
SCHEMBL9711441 0.72 FFAR1 (0.54) LMNAFFAR1KMT2AMEN1TTR
SCHEMBL8696452 0.71 FFAR1 (0.46) LMNAFFAR1KMT2AMEN1TTR
SCHEMBL10965377 0.70 MEN1 (0.61) LMNAFFAR1KMT2AMEN1TTR
SCHEMBL8748928 0.70 FFAR1 (0.54) LMNAFFAR1KMT2AMEN1TTR

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
US-4746351-A POSTEMERGENCE PPG INDUSTRIES, INC. (US) 1988-05-24 — — US disclosed
EP-0245804-A2 Herbicidally active substituted phenoxy benzoxazole (or benzothiazole) compounds PPG INDUSTRIES, INC. (US) 1987-11-19 — — EP disclosed
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