SCHEMBL22444534

SCHEMBL22444534

CCCCCCCC(O)(N=C=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
SCN5A Q14524 3/20 0.40
SCN9A Q15858 3/20 0.40
SIGMAR1 Q99720 2/20 0.38
EBP Q15125 1/20 0.37
EPHX2 P34913 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL22444764 1.00 GAA (0.40) GAASCN5ASCN9ASIGMAR1EBP
SCHEMBL22444455 1.00 GAA (0.40) GAASCN5ASCN9ASIGMAR1EBP
SCHEMBL22444521 0.98 GAA (0.41) GAASCN5ASCN9ASIGMAR1EBP
SCHEMBL22444555 0.94 KIF11 (0.40) GAASIGMAR1MEN1KMT2ACHRM2
SCHEMBL22444735 0.87 CYP2C19 (0.37) GAASIGMAR1MEN1KMT2A
SCHEMBL9132729 0.81 EBP (0.39) GAASCN5ASCN9ASIGMAR1EBP
SCHEMBL16944028 0.75 SIGMAR1 (0.31) SIGMAR1
SCHEMBL12099349 0.74 CHRM2 (0.44) GAASCN5ASCN9ASIGMAR1EBP
SCHEMBL11835995 0.74 SCN5A (0.56) GAASCN5ASCN9ASIGMAR1
SCHEMBL11831207 0.74 SCN5A (0.56) GAASCN5ASCN9ASIGMAR1

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
WO-2020189201-A1 METHOD FOR PRODUCING BISPHENOL AND METHOD FOR PRODUCING POLYCARBONATE RESIN 三菱ケミカル株式会社 2020-09-24 WO disclosed