SCHEMBL27306011

SCHEMBL27306011

CCC(C)Nc1cc(OC)c2c(c1)C(C)CC(C)(C)N2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.33
▸ PGR P06401 5/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NR3C1 P04150 2/20 0.32
▸ G6PD P11413 1/20 0.32
▸ NR3C2 P08235 1/20 0.32
▸ HTT P42858 1/20 0.31

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
SCHEMBL27306128 0.90 AR (0.33) ARPGRALDH1A1TP53HSP90AA1
SCHEMBL27305995 0.88 AR (0.35) ARPGRALDH1A1NR3C1NR3C2
SCHEMBL27306007 0.84 PGR (0.35) ARPGRALDH1A1TP53HSP90AA1
SCHEMBL27306125 0.83 THRB (0.36) ARPGRALDH1A1TP53HSP90AA1
SCHEMBL27306120 0.81 ALDH1A1 (0.33) ARPGRALDH1A1TP53HSP90AA1
SCHEMBL27306612 0.79 G6PD (0.31) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL27307158 0.78 ALDH1A1 (0.32) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL27305895 0.76 PGR (0.39) ARPGRALDH1A1TP53ALOX15
SCHEMBL27305910 0.71 PGR (0.38) ARPGRALDH1A1NR3C1NR3C2
SCHEMBL27306008 0.70 ALDH1A1 (0.36) ARPGRALDH1A1TP53HSP90AA1

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-2023235855-A1 QUINOLINEAMINE ANTIDEGRADANT COMPOUNDS AND USES THEREOF FLEXSYS AMERICA L.P. (US) 2023-12-07 — — WO disclosed
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