SCHEMBL5772046

SCHEMBL5772046

CC(C)(CCO)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Oc1ccoc1)S(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 1/20 0.42
ABCB1 P08183 1/20 0.40
MLNR O43193 1/20 0.40
ABCB11 O95342 1/20 0.40
LMNA P02545 1/20 0.40
CTSD P07339 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP3A5 P20815 1/20 0.40
CNR1 P21554 1/20 0.40
TBXAS1 P24557 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL5772047 1.00 SPPL2A (0.42) SPPL2AABCB1MLNRABCB11LMNA
SCHEMBL5770476 0.89 LMNA (0.42) SPPL2AABCB1MLNRABCB11LMNA
SCHEMBL5770470 0.89 LMNA (0.42) SPPL2AABCB1MLNRABCB11LMNA
SCHEMBL7393518 0.88 SPPL2A (0.38) SPPL2AABCB1MLNRABCB11LMNA
SCHEMBL1602374 0.83 SPPL2A (0.44) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL1602373 0.83 SPPL2A (0.44) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL7395965 0.83 MLNR (0.50) SPPL2AABCB1MLNRABCB11LMNA
SCHEMBL7396185 0.83 SPPL2A (0.43) SPPL2AABCB1MLNRABCB11LMNA
SCHEMBL1601744 0.82 SPPL2A (0.42) SPPL2AABCB1MLNRABCB11LMNA
SCHEMBL1601742 0.82 SPPL2A (0.42) SPPL2AABCB1MLNRABCB11LMNA

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
EP-1637518-A2 Inhibitors of aspartyl protease Vertex Pharmaceuticals Incorporated (US) 2006-03-22 EP disclosed