SCHEMBL11065441

SCHEMBL11065441

CC(C)(C)CC(C)(C)N.CCOc1ccc(N(c2ccccc2)C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3cc(C(=O)O)ccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
POLB P06746 1/20 0.32
PTGER4 P35408 8/20 0.32
PLA2G2A P14555 1/20 0.32
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CSNK2A3 Q8NEV1 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL11066294 0.94 SMN1; SMN2 (0.39) SMN1; SMN2MAPTL3MBTL1MEN1GAA
SCHEMBL11068175 0.93 SMN1; SMN2 (0.42) SMN1; SMN2MAPTL3MBTL1MEN1GAA
SCHEMBL11065443 0.92 PLA2G2A (0.37) SMN1; SMN2MAPTL3MBTL1MEN1GAA
SCHEMBL11068054 0.87 SMN1; SMN2 (0.41) SMN1; SMN2MAPTMEN1KMT2APTGER4
SCHEMBL11062542 0.87 SMN1; SMN2 (0.44) SMN1; SMN2MAPTL3MBTL1MEN1GAA
SCHEMBL11066298 0.86 SMN1; SMN2 (0.38) SMN1; SMN2MAPTL3MBTL1MEN1GAA
SCHEMBL11068376 0.86 SMN1; SMN2 (0.40) SMN1; SMN2MAPTL3MBTL1HTTKMT2A
SCHEMBL11062617 0.84 SMN1; SMN2 (0.38) SMN1; SMN2MAPTPTGER4KDM4ETP53
SCHEMBL11072094 0.84 PLA2G2A (0.37) SMN1; SMN2PLA2G2A
SCHEMBL3873669 0.82 SMN1; SMN2 (0.41) SMN1; SMN2MAPTGAAHTTPOLB

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-4431819-A PRESSURE AND HEAT SENSITIVE ELEMENTS; CARBONLESS COPYING; HECTOGRAPHY; XERORAPHY STERLING DRUG INC. (US) 1984-02-14 US claimed