SCHEMBL9053630

SCHEMBL9053630

CCOC(=O)C(CC)C(=O)OCCCCCCCN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL8408743 0.85 ALDH1A1 (0.47) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL12354522 0.82 ALDH1A1 (0.50) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL15475791 0.80 KDM4E (0.47) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL15475487 0.80 KDM4E (0.47) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL15171934 0.78 KDM4E (0.48) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL23870903 0.77 MEN1 (0.50) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL12422456 0.77 KDM4E (0.48) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL12422449 0.77 KDM4E (0.48) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL4921067 0.77 ALDH1A1 (0.50) ALDH1A1KDM4ELMNASMN1; SMN2POLB
SCHEMBL12422450 0.77 KDM4E (0.48) RAB9AKMT2AMEN1NPC1ALDH1A1

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-1996002524-A1 PHENYLCARBAMATE DERIVATIVES SUITABLE TO THE USE AS ANTICHOLINESTERASE SUBSTANCES MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1996-02-01 WO disclosed