SCHEMBL27307156

SCHEMBL27307156

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

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ G6PD P11413 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL27307059 0.91 — —
SCHEMBL27307274 0.90 ALDH1A1 (0.32) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL27307149 0.85 ALDH1A1 (0.36) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL27307391 0.84 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2G6PDMAPK1
SCHEMBL27307270 0.83 ALDH1A1 (0.34) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL27307161 0.81 ALDH1A1 (0.33) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL27307390 0.81 MEN1 (0.31) —
SCHEMBL27307276 0.81 ALDH1A1 (0.32) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL27306008 0.80 ALDH1A1 (0.36) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL27306821 0.79 STK10 (0.36) HSD17B10MAPK1

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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