SCHEMBL9119065

SCHEMBL9119065

CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(C)C(C)(C)C(=O)OCc1ccccc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 1/20 0.55
MLNR O43193 1/20 0.45
ABCB11 O95342 1/20 0.45
LMNA P02545 1/20 0.45
CTSD P07339 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP3A5 P20815 1/20 0.45
CNR1 P21554 1/20 0.45
TBXAS1 P24557 1/20 0.45
ADRA1A P35348 1/20 0.45
ABCB1 P08183 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
KCNH2 Q12809 1/20 0.43
SCN5A Q14524 1/20 0.43
KCND3 Q9UK17 1/20 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
SCHEMBL9122012 0.94 SPPL2A (0.53) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL9122536 0.94 SPPL2A (0.53) SPPL2A
SCHEMBL9121910 0.93 SPPL2A (0.63) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL9123183 0.90 SPPL2A (0.49) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL5397301 0.88 MLNR (0.47) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL11988786 0.88 SPPL2A (0.69) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL9123970 0.87 SPPL2A (0.60) SPPL2A
SCHEMBL8842365 0.85 SPPL2A (0.49) SPPL2A
SCHEMBL9119249 0.85 SPPL2A (0.49) SPPL2A
SCHEMBL9121380 0.84 SPPL2A (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5463104-A Treating human immunodeficiency virus infection G. D. SEARLE & CO. (US) 1995-10-31 US claimed