SCHEMBL29508388

SCHEMBL29508388

CCCCOC(=O)N[C@H](C)C(C)(C)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ACHE P22303 7/20 0.43
HRH3 Q9Y5N1 2/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL7598417 0.85 NPC1 (0.43) EPHX1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL4764642 0.80 EPHX1 (0.42) EPHX1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL8382659 0.80 EPHX1 (0.52) EPHX1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL5128756 0.78 EPHX1 (0.50) EPHX1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL27756824 0.78 EPHX1 (0.50) EPHX1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL2551779 0.78 EPHX1 (0.50) EPHX1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL3631820 0.77 EPHX1 (0.48) EPHX1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL6137211 0.77 EPHX1 (0.48) EPHX1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL8216997 0.77 EPHX1 (0.48) EPHX1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL7556363 0.77 RAB9A (0.51) EPHX1SMN1; SMN2NPC1RAB9AHPGD

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
EP-3980415-A1 N-1 BRANCHED ALKYL SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS, COMPOSITIONS, AND METHODS 3M Innovative Properties Company (US) 2022-04-13 EP disclosed