SCHEMBL7323405

SCHEMBL7323405

CC(C)C(NC(=O)C(NC(=O)CCCCCc1ccccc1)C(CO)CNC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.46
CASP1 P29466 1/20 0.43
CTSD P07339 4/20 0.42
REN P00797 1/20 0.42
KLK5 Q9Y337 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
IL1RN P18510 1/20 0.39
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
SDCBP O00560 1/20 0.38
SDC2 P34741 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL7330386 0.95 PSMB1 (0.42) SYKCASP1CTSDRENKLK5
Hydrochloric Acid SCHEMBL7331042 0.84 CASP1 (0.43) CASP1CTSDCTSBCTSKIL1RN
SCHEMBL7319638 0.84 CTSK (0.46) CASP1CTSDRENCTSBCTSK
SCHEMBL7323095 0.81 ERAP2 (0.43) CASP1CTSDCTSBCTSKIL1RN
SCHEMBL7332099 0.81 LNPEP (0.37) CASP1CTSDCTSBCTSKIL1RN
SCHEMBL7326123 0.81 SYK (0.48) SYKCTSDRENKLK5CTSB
Hydrochloric Acid SCHEMBL7323783 0.81 ERAP2 (0.42) CASP1CTSDCTSBCTSKIL1RN
SCHEMBL7329312 0.80 CTSD (0.42) CASP1CTSDMEN1KMT2A
SCHEMBL7321477 0.79 CASP1 (0.46) CASP1CTSDMEN1KMT2A
SCHEMBL10376907 0.79 LTA4H (0.43) IL1RNERAP2ERAP1

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