SCHEMBL8433707

SCHEMBL8433707

CCOC(=O)C(C#N)CCCCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
CASR P41180 1/20 0.40
TBXAS1 P24557 1/20 0.40
PIN1 Q13526 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A3 Q01959 3/20 0.40
SLC6A4 P31645 2/20 0.40
KCNA3 P22001 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL8433703 0.80 TSHR (0.43) MMP8SMN1; SMN2MEN1KMT2AGAA
SCHEMBL29374123 0.79 ZDHHC7 (0.43)
SCHEMBL17079750 0.79 ZDHHC7 (0.43)
SCHEMBL28288321 0.79 ZDHHC7 (0.43)
SCHEMBL21646318 0.79 ZDHHC7 (0.43)
SCHEMBL9077635 0.78 SIGMAR1 (0.42) SMN1; SMN2MEN1KMT2ATDP1SIGMAR1
SCHEMBL28386055 0.77 CPB2 (0.38) SMN1; SMN2MEN1KMT2AGAAPOLB
SCHEMBL13018534 0.77 MMP8 (0.46) MMP8SMN1; SMN2MEN1KMT2AGAA
SCHEMBL1325862 0.77 ZDHHC7 (0.41) SMN1; SMN2MEN1KMT2AGAA
SCHEMBL11264604 0.76 MEN1 (0.43) MMP8SMN1; SMN2MEN1KMT2AGAA

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-5891916-A ANTINEUROGEGERATIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-04-06 US disclosed