SCHEMBL8762274

SCHEMBL8762274

CC(C)CN(CC(O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1)C(=O)NC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.43
ACE P12821 3/20 0.43
PSEN1 P49768 10/20 0.42
PSEN2 P49810 10/20 0.42
APH1B Q8WW43 10/20 0.42
NCSTN Q92542 10/20 0.42
APH1A Q96BI3 10/20 0.42
PSENEN Q9NZ42 10/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PSMB1 P20618 1/20 0.39
PSMB5 P28074 1/20 0.39
PSMB2 P49721 1/20 0.39
CTSB P07858 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL5872022 1.00 MME (0.43) MMEACEPSEN1PSEN2APH1B
SCHEMBL5405883 1.00 MME (0.43) MMEACEPSEN1PSEN2APH1B
SCHEMBL5871974 0.91 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5871880 0.91 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2842137 0.86 HPGD (0.43) MMEACEPSEN1PSEN2APH1B
SCHEMBL5871924 0.85 PSEN1 (0.46) MMEACEPSEN1PSEN2APH1B
SCHEMBL5404893 0.83 LAP3 (0.47) MMEACEPSEN1PSEN2APH1B
SCHEMBL8159887 0.83 LAP3 (0.47) MMEACEPSEN1PSEN2APH1B
SCHEMBL14524365 0.82 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12992322 0.82 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A

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-0769936-A1 SELF-EMULSIFYING DRUG DELIVERY SYSTEM G.D. SEARLE & CO. (US) 1997-05-02 EP disclosed
WO-1996003113-A1 SELF-EMULSIFYING DRUG DELIVERY SYSTEM G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed