SCHEMBL7166709

SCHEMBL7166709

CC(=O)NCC(=O)NC(C(=O)NC(Cc1ccccc1)C(O)CN(CC(C)C)S(=O)(=O)c1ccc2c(c1)OCO2)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 1/20 0.47
MLNR O43193 1/20 0.44
ABCB11 O95342 1/20 0.44
LMNA P02545 1/20 0.44
CTSD P07339 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP3A5 P20815 1/20 0.44
CNR1 P21554 1/20 0.44
TBXAS1 P24557 1/20 0.44
ADRA1A P35348 1/20 0.44
ABCB1 P08183 2/20 0.42
MEP1B Q16820 1/20 0.42
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN5A Q14524 1/20 0.42
KCND3 Q9UK17 1/20 0.42

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
SCHEMBL7166902 0.95 SPPL2A (0.48) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL7169933 0.94 SPPL2A (0.47) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL7162729 0.94 SPPL2A (0.47) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL7167033 0.94 SPPL2A (0.47) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL7166686 0.93 SPPL2A (0.46) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL7169067 0.93 SPPL2A (0.51) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL14189497 0.93 SPPL2A (0.48) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL7168391 0.92 SPPL2A (0.48) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL14189509 0.92 SPPL2A (0.47) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL7165353 0.91 SPPL2A (0.49) SPPL2AMLNRABCB11LMNACTSD

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
US-6562848-B1 For treating HIV infection, comprising: administering claimed compound with at least one compound selected from the group consisting of HIV reverse transcriptase inhibitors and HIV protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-05-13 US claimed
US-6562848-B1 For treating HIV infection, comprising: administering claimed compound with at least one compound selected from the group consisting of HIV reverse transcriptase inhibitors and HIV protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-05-13 US disclosed