SCHEMBL27306358

SCHEMBL27306358

CCC1=CC(C)(CC)Nc2c(C)cc(Nc3ccccc3)cc21

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL27306239 0.88 APP (0.35) APPNPSR1GAAHPGDLMNA
SCHEMBL27306369 0.87 APP (0.32) APP
SCHEMBL27306242 0.85 STK10 (0.36) APPHPGDMAPTMAPK1
SCHEMBL27306478 0.85 APP (0.30) APP
SCHEMBL27306481 0.80 — —
SCHEMBL27306609 0.78 ALDH1A1 (0.34) HSD17B10
SCHEMBL27306365 0.77 EGFR (0.37) NPSR1GAAHPGDLMNAMAPT
SCHEMBL30663249 0.77 ALDH1A1 (0.44) APPNPSR1GAAHPGDLMNA
SCHEMBL27305819 0.77 ALDH1A1 (0.44) APPNPSR1GAAHPGDLMNA
SCHEMBL27306826 0.75 NPSR1 (0.33) APPNPSR1GAAHPGDLMNA

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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