SCHEMBL7790292

SCHEMBL7790292

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(C)(C)C(=O)OCCl.CC(OC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.44
CTSL P07711 4/20 0.44
CTSK P43235 3/20 0.44
CTSS P25774 3/20 0.44
CAPN1 P07384 2/20 0.44
CCR1 P32246 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
ELANE P08246 2/20 0.42
SYK P43405 1/20 0.41
CASP1 P29466 1/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
CASP6 P55212 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
SCHEMBL3727071 0.93 CTSB (0.49) CTSBCTSLCTSKCTSSCAPN1
SCHEMBL3730098 0.93 CTSB (0.49) CTSBCTSLCTSKCTSSCAPN1
SCHEMBL7782701 0.89 CYP3A4 (0.46) CTSBCTSLCTSKCTSSCAPN1
SCHEMBL28949078 0.84 CTSL (0.57) CTSBCTSLCTSKCTSSCAPN1
SCHEMBL3725467 0.84 CTSL (0.57) CTSBCTSLCTSKCTSSCAPN1
SCHEMBL3733900 0.84 CTSL (0.57) CTSBCTSLCTSKCTSSCAPN1
SCHEMBL3731597 0.84 CYP3A4 (0.59) CTSBCTSLCTSKCTSSMEN1
SCHEMBL3728988 0.84 CTSB (0.50) CTSBCTSLCTSKCTSSCAPN1
SCHEMBL3740281 0.84 CTSB (0.50) CTSBCTSLCTSKCTSSCAPN1
SCHEMBL3731206 0.82 CTSL (0.53) CTSBCTSLCTSKCTSSCAPN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150956-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2001-11-07 EP disclosed
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 EP disclosed
WO-2000047561-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2000-08-17 WO disclosed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 WO disclosed