SCHEMBL7323095

SCHEMBL7323095

CC(C)C(NC(=O)C(NC(=O)CCCCCc1ccc(O)cc1)C(CN)CO)C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 3/20 0.43
ERAP1 Q9NZ08 2/20 0.43
IL1RN P18510 1/20 0.43
LNPEP Q9UIQ6 3/20 0.42
CASP1 P29466 1/20 0.42
GRIA1 P42261 1/20 0.41
CTSD P07339 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
Hydrochloric Acid SCHEMBL7323783 0.99 ERAP2 (0.42) ERAP2ERAP1IL1RNLNPEPCASP1
Hydrochloric Acid SCHEMBL7331042 0.95 CASP1 (0.43) ERAP2ERAP1IL1RNLNPEPCASP1
SCHEMBL10376907 0.92 LTA4H (0.43) ERAP2ERAP1IL1RN
Hydrochloric Acid SCHEMBL7324002 0.92 LTA4H (0.42) ERAP2ERAP1IL1RN
SCHEMBL7323405 0.81 SYK (0.46) ERAP2ERAP1IL1RNCASP1CTSD
SCHEMBL7330386 0.79 PSMB1 (0.42) CASP1CTSDCTSK
SCHEMBL7332099 0.79 LNPEP (0.37) ERAP2ERAP1IL1RNLNPEPCASP1
SCHEMBL7319638 0.78 CTSK (0.46) CASP1CTSDCTSBCTSKCA2
SCHEMBL7329312 0.78 CTSD (0.42) CASP1CTSDSMN1; SMN2
SCHEMBL9296228 0.78 CASP1 (0.54) CASP1CTSDSMN1; SMN2

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