SCHEMBL7329194

SCHEMBL7329194

CC(C)[C@H](NC(=O)[C@@](NC(=O)C1CCCC1)(C(C)C)C(O)C(Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDYL2 Q8N8U2 1/20 0.43
CDYL Q9Y232 1/20 0.43
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CALCRL Q16602 3/20 0.39
BACE1 P56817 3/20 0.39
CTSD P07339 1/20 0.38
CTSE P14091 1/20 0.38
PGC P20142 1/20 0.38
CTSB P07858 2/20 0.37
PSMB5 P28074 2/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 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
SCHEMBL7331112 0.92 CTSD (0.43) CDYL2CDYLCYP2C19SMN1; SMN2CTSD
SCHEMBL7321670 0.83 PSEN1 (0.43) CYP2C19SMN1; SMN2BACE1CTSDCTSE
SCHEMBL7330516 0.82 CDYL2 (0.47) CDYL2CDYLCALCRLBACE1CTSB
SCHEMBL7322717 0.81 PSEN1 (0.51) CTSDPSEN1PSEN2APH1BNCSTN
SCHEMBL7326356 0.79 CTSD (0.39) CYP2C19SMN1; SMN2CALCRLBACE1CTSD
SCHEMBL7324985 0.76 ANPEP (0.45) CYP2C19SMN1; SMN2CTSDPSMB5
SCHEMBL7330442 0.76 ANPEP (0.45) CYP2C19SMN1; SMN2CTSDPSMB5
SCHEMBL10378717 0.75 BACE1 (0.58) CDYL2CDYLCALCRLBACE1CTSD
SCHEMBL7329186 0.75 BACE1 (0.58) CDYL2CDYLCALCRLBACE1CTSD
SCHEMBL7323521 0.75 CDYL2 (0.41) CDYL2CDYLCYP2C19CTSDCTSB

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
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed