SCHEMBL7791933

SCHEMBL7791933

COc1ccc(CC(Cc2ccc(O)c(O)c2)C(=O)O)cc1.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 1/20 0.49
ATM Q13315 1/20 0.46
F2 P00734 1/20 0.46
PSMB11 A5LHX3 9/20 0.46
PSMA7 O14818 9/20 0.46
PSMB1 P20618 9/20 0.46
PSMA1 P25786 9/20 0.46
PSMA2 P25787 9/20 0.46
PSMA3 P25788 9/20 0.46
PSMA4 P25789 9/20 0.46
PSMB8 P28062 9/20 0.46
PSMB9 P28065 9/20 0.46
PSMA5 P28066 9/20 0.46
PSMB4 P28070 9/20 0.46
PSMB6 P28072 9/20 0.46
PSMB5 P28074 9/20 0.46
PSMB10 P40306 9/20 0.46
PSMB3 P49720 9/20 0.46
PSMB2 P49721 9/20 0.46
PSMA6 P60900 9/20 0.46

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) CTSDATMF2PSMB11PSMA7
SCHEMBL7791929 0.94 CTSD (0.44) CTSDATMF2PSMB11PSMA7
SCHEMBL7787424 0.90 CTSD (0.49) CTSDATMF2PSMB11PSMA7
SCHEMBL3727193 0.81 CTSD (0.49) CTSDATMF2PSMB11PSMA7
SCHEMBL3734188 0.77 FFAR4 (0.49) CTSDCTSLCTSSCTSKMEN1
SCHEMBL3735872 0.75 LDHA (0.59) MEN1KMT2A
SCHEMBL8131148 0.74 ATM (0.47) CTSDATMPSMB11PSMA7PSMB1
SCHEMBL3732276 0.74 ATM (0.51) CTSDATMPSMB11PSMA7PSMB1
SCHEMBL3740465 0.73 ATM (0.55) CTSDATMCTSLCTSSCTSK
SCHEMBL3732115 0.73 ATM (0.55) CTSDATMCTSLCTSSCTSK

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