SCHEMBL9490252

SCHEMBL9490252

CC(=O)N(O)C1CCCc2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
ALDH1A1 P00352 2/20 0.58
XBP1 P17861 1/20 0.58
RAB9A P51151 1/20 0.56
TRPM8 Q7Z2W7 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL9201774 0.90 MAOA (0.48) HTTALDH1A1XBP1RAB9ATRPM8
SCHEMBL3810645 0.84 ALDH1A1 (0.55) HTTALDH1A1XBP1RAB9ATRPM8
SCHEMBL659024 0.84 ALDH1A1 (0.70) HTTALDH1A1XBP1RAB9ATRPM8
SCHEMBL14299385 0.84 ALDH1A1 (0.70) HTTALDH1A1XBP1RAB9ATRPM8
SCHEMBL4565540 0.84 HTT (0.61) HTTALDH1A1XBP1RAB9ATRPM8
SCHEMBL606142 0.83 ALDH1A1 (0.60) HTTALDH1A1XBP1RAB9ATRPM8
SCHEMBL9491895 0.82 CAMK2A (0.48) HTTALDH1A1XBP1RAB9A
SCHEMBL9488548 0.77 TAS1R3 (0.46) MEN1KMT2A
SCHEMBL27547510 0.77 TRPM8 (0.56) HTTALDH1A1XBP1RAB9ATRPM8
SCHEMBL8231768 0.77 ALDH1A1 (0.72) HTTALDH1A1XBP1RAB9ATRPM8

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
EP-0522000-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-13 EP disclosed
WO-1991014674-A2 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-03 WO disclosed