SCHEMBL7787424

SCHEMBL7787424

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc(CCC(=O)O)cc1OC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C.COc1ccc(CC(Cc2ccc(OC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)c(OC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)c2)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.49
ATM Q13315 1/20 0.46
F2 P00734 1/20 0.44
CTSK P43235 2/20 0.44
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
ECE1 P42892 2/20 0.43
MME P08473 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
PSMB11 A5LHX3 3/20 0.43
PSMA7 O14818 3/20 0.43
PSMB1 P20618 3/20 0.43
PSMA1 P25786 3/20 0.43
PSMA2 P25787 3/20 0.43
PSMA3 P25788 3/20 0.43
PSMA4 P25789 3/20 0.43
PSMB8 P28062 3/20 0.43
PSMB9 P28065 3/20 0.43
PSMA5 P28066 3/20 0.43
PSMB4 P28070 3/20 0.43

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
SCHEMBL3727195 0.95 CTSD (0.53) CTSDATMF2CTSKCTSL
SCHEMBL7791929 0.91 CTSD (0.44) CTSDATMF2CTSKCTSL
SCHEMBL7791933 0.90 CTSD (0.49) CTSDATMF2CTSKCTSL
SCHEMBL3734188 0.89 FFAR4 (0.49) CTSDCTSKCTSLCTSSMEN1
SCHEMBL3727193 0.88 CTSD (0.49) CTSDATMF2CTSKCTSL
SCHEMBL7790683 0.82 CASP1 (0.46) CTSDCTSKCTSLCTSSMEN1
SCHEMBL3728055 0.80 CTSL (0.53) CTSKCTSLCTSSECE1MME
SCHEMBL3740295 0.79 CASP1 (0.46) CTSDCTSKCTSLCTSSMEN1
SCHEMBL7787410 0.77 CASP1 (0.44) CTSDCTSKCTSLCTSSMEN1
SCHEMBL3732276 0.74 ATM (0.51) CTSDATMCTSKCTSLCTSS

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