SCHEMBL7438128

SCHEMBL7438128

CCC[S+]([O-])c1ccc(NC(=O)CN2CCC(NCC(O)C3COc4ccccc4O3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 4/20 0.39
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GLA P06280 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LTA4H P09960 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL7445848 0.91 POLB (0.45) POLBALDH1A1L3MBTL1RAB9ALMNA
SCHEMBL10990395 0.88 POLB (0.47) POLBALDH1A1RAB9ALMNAMAPT
SCHEMBL7447128 0.87 RAB9A (0.52) POLBALDH1A1L3MBTL1RAB9ALMNA
SCHEMBL7440389 0.87 MEN1 (0.47) POLBALDH1A1L3MBTL1RAB9ALMNA
SCHEMBL7443888 0.86 POLB (0.48) POLBALDH1A1RAB9ALMNAMAPT
SCHEMBL7439415 0.85 POLB (0.49) POLBALDH1A1L3MBTL1RAB9ALMNA
SCHEMBL7439756 0.85 POLB (0.45) POLBALDH1A1L3MBTL1RAB9ALMNA
SCHEMBL7434360 0.84 POLB (0.59) POLBALDH1A1L3MBTL1RAB9ALMNA
SCHEMBL7428136 0.84 POLB (0.48) POLBALDH1A1L3MBTL1RAB9ALMNA
SCHEMBL7435917 0.84 POLB (0.48) POLBALDH1A1L3MBTL1RAB9ALMNA

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed