SCHEMBL7787406

SCHEMBL7787406

CCC(OC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)(C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSB P07858 5/20 0.51
CTSL P07711 5/20 0.51
CTSS P25774 4/20 0.51
CTSK P43235 7/20 0.50
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
SYK P43405 1/20 0.49
CASP1 P29466 1/20 0.48
CASP3 P42574 1/20 0.48
CASP7 P55210 1/20 0.48
CASP6 P55212 1/20 0.48
CASP8 Q14790 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL7675256 0.86 ATM (0.50) CTSBCTSLCTSSCTSKMEN1
SCHEMBL3737347 0.81 CTSL (0.55) CTSBCTSLCTSSCTSKMEN1
SCHEMBL3729660 0.81 CTSL (0.56) CTSBCTSLCTSSCTSKMEN1
SCHEMBL14728306 0.80 CTSL (0.58) CTSBCTSLCTSSCTSKMEN1
SCHEMBL12493740 0.80 CTSK (0.56) CTSBCTSLCTSSCTSKSYK
SCHEMBL12493735 0.80 CTSK (0.56) CTSBCTSLCTSSCTSKSYK
SCHEMBL3728346 0.80 CTSK (0.55) CTSBCTSLCTSSCTSKSYK
SCHEMBL20885259 0.79 SYK (0.59) CTSBCTSLCTSSCTSKSYK
SCHEMBL11657615 0.79 SYK (0.59) CTSBCTSLCTSSCTSKSYK
SCHEMBL3725467 0.79 CTSL (0.57) CTSBCTSLCTSSCTSKCASP1

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-1150956-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2001-11-07 EP disclosed
WO-2000047561-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2000-08-17 WO disclosed