SCHEMBL6656435

SCHEMBL6656435

CCCCOC(=O)NNC(C)C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 1/20 0.47
ACHE P22303 12/20 0.47
ALDH1A1 P00352 1/20 0.47
ATM Q13315 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
SCHEMBL7064839 0.84 EPHX1 (0.44) EPHX1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL16824229 0.83 EPHX1 (0.59) EPHX1SMN1; SMN2L3MBTL1HPGDACHE
SCHEMBL8382659 0.80 EPHX1 (0.52) EPHX1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9258313 0.79 GAA (0.44) SMN1; SMN2ALDH1A1
SCHEMBL28460826 0.78 EPHX1 (0.46) EPHX1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL288938 0.78 EPHX1 (0.59) EPHX1SMN1; SMN2L3MBTL1HPGDACHE
SCHEMBL11650927 0.78 EPHX1 (0.53) EPHX1SMN1; SMN2L3MBTL1HPGDACHE
SCHEMBL7556363 0.77 RAB9A (0.51) EPHX1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9177559 0.77 EPHX1 (0.44) EPHX1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL855001 0.76 EPHX1 (0.52) EPHX1SMN1; SMN2L3MBTL1HPGDACHE

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-1423167-A1 METHOD FOR TREATING ALZHEIMER'S DISEASE USING QUINALDOYL-AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUTED HYDROCARBONS Elan Pharmaceuticals, Inc. (US) 2004-06-02 EP disclosed
WO-2003020370-A1 METHOD FOR TREATING ALZHEIMER'S DISEASE USING QUINALDOYL-AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUTED HYDROCARBONS ELAN PHARMACEUTICALS, INC. (US) 2003-03-13 WO disclosed