SCHEMBL7167033

SCHEMBL7167033

CC(C)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 16)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 1/20 0.47
CTSD P07339 2/20 0.44
MLNR O43193 1/20 0.44
ABCB11 O95342 1/20 0.44
LMNA P02545 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
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41
KCND3 Q9UK17 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
SCHEMBL7162729 0.94 SPPL2A (0.47) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL7166902 0.94 SPPL2A (0.48) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL7166709 0.94 SPPL2A (0.47) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL7169933 0.93 SPPL2A (0.47) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL7166686 0.92 SPPL2A (0.46) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL7169067 0.92 SPPL2A (0.51) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL14189497 0.92 SPPL2A (0.48) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL14189510 0.92 SPPL2A (0.49) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL7168391 0.91 SPPL2A (0.48) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL14189509 0.91 SPPL2A (0.47) SPPL2ACTSDMLNRABCB11LMNA

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