SCHEMBL8040297

SCHEMBL8040297

O=C1c2ccc(F)cc2C(=O)N1CCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARK7 Q99497 7/20 0.68
▸ CASP3 P42574 1/20 0.62
▸ ALDH1A1 P00352 4/20 0.55
▸ MAPT P10636 3/20 0.55
▸ GAA P10253 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ GRM5 P41594 1/20 0.53
▸ HTT P42858 1/20 0.52
▸ CYP1B1 Q16678 1/20 0.51
▸ EGFR P00533 1/20 0.51
▸ CA1 P00915 2/20 0.51
▸ CA4 P22748 2/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ APAF1 O14727 1/20 0.49
▸ CASP1 P29466 1/20 0.49

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
SCHEMBL31430155 0.84 KMT2A (0.63) PARK7CASP3EGFRCA1CA4
SCHEMBL7954280 0.83 CASP3 (0.65) PARK7CASP3ALDH1A1MAPTGAA
SCHEMBL1142116 0.83 CASP3 (0.86) PARK7CASP3ALDH1A1MAPTGAA
SCHEMBL29724090 0.83 CASP3 (0.86) PARK7CASP3ALDH1A1MAPTGAA
SCHEMBL7954623 0.83 CASP3 (0.59) PARK7CASP3ALDH1A1MAPTGAA
SCHEMBL10661191 0.81 CASP3 (0.62) PARK7CASP3ALDH1A1MAPTGAA
SCHEMBL10586404 0.81 ALDH1A1 (0.68) PARK7CASP3ALDH1A1MAPTGAA
SCHEMBL822573 0.80 ALDH1A1 (0.75) PARK7CASP3ALDH1A1MAPTGAA
SCHEMBL12420232 0.78 CASP3 (0.57) PARK7CASP3ALDH1A1MAPTGAA
SCHEMBL28083799 0.78 CASP3 (0.57) PARK7CASP3ALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000026267-A9 BRANCHED AND HYPERBRANCHED POLYETHERIMIDES FROM STABLE A1Bn, AB, AA, AND BB MONOMERS; AM ENDCAPPING AGENTS UNIV ILLINOIS (US) 2000-10-19 — — WO disclosed
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