SCHEMBL19976557

SCHEMBL19976557

CC(CCCCCC(=O)O)C1=Nc2cc(C(=O)NCCS(=O)(=O)O)cc(C(=O)NCCS(=O)(=O)O)c2C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
FABP4 P15090 4/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32

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
SCHEMBL178266 0.77 MEN1 (0.32)
SCHEMBL178270 0.73 POLB (0.39) POLBMAPK1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL19063140 0.72 POLB (0.38) POLBMAPK1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL10127310 0.71 L3MBTL1 (0.31)
SCHEMBL10127672 0.71 TLR7 (0.32)
SCHEMBL19976534 0.71 POLB (0.36) POLBMAPK1SMN1; SMN2LMNAFABP4
SCHEMBL22259601 0.70 POLB (0.36) POLBMAPK1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL10126841 0.70 POLB (0.39) POLBMAPK1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL21524634 0.65 LMNA (0.47) POLBMAPK1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL10127256 0.64 HPGD (0.40) SMN1; SMN2HTTHPGD

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-9920365-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2018-03-20 US disclosed