SCHEMBL28920116

SCHEMBL28920116

CCCCCCC(C(=O)OCC)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
POLB P06746 1/20 0.39
ZDHHC7 Q9NXF8 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CPB2 Q96IY4 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38

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
SCHEMBL6204523 0.94 MEN1 (0.49) MEN1KMT2AL3MBTL1MAPK1SMN1; SMN2
SCHEMBL5699294 0.89 ESR1 (0.44) LMNAMMP9MMP8MMP13MAPK1
SCHEMBL5699327 0.89 ESR1 (0.44) LMNAMMP9MMP8MMP13MAPK1
SCHEMBL2384369 0.89 ESR1 (0.44) LMNAMMP9MMP8MMP13MAPK1
SCHEMBL5699336 0.89 ESR1 (0.44) LMNAMMP9MMP8MMP13MAPK1
SCHEMBL9090315 0.88 ALDH1A1 (0.49) MEN1KMT2ALMNAMMP9MMP8
SCHEMBL4886826 0.88 MMP8 (0.48) LMNAMMP8SMN1; SMN2PRSS1PRSS2
SCHEMBL8818975 0.88 MMP8 (0.48) LMNAMMP8SMN1; SMN2PRSS1PRSS2
SCHEMBL28066882 0.88 MMP8 (0.48) LMNAMMP8SMN1; SMN2PRSS1PRSS2
SCHEMBL13980904 0.87 MEN1 (0.47) MEN1KMT2AL3MBTL1LMNAMMP8

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
CN-109628508-B Method for splitting chiral substance by enzyme method 华南理工大学 2021-08-10 CN disclosed