SCHEMBL28403676

SCHEMBL28403676

CCCC(C)C(=O)Oc1ccco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 1/20 0.38
KCNA3 P22001 1/20 0.38
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
SLC6A2 P23975 1/20 0.34

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
SCHEMBL538907 0.91 ALDH1A1 (0.40) MMP1MMP9MMP12ALDH1A1KMT2A
SCHEMBL8633653 0.87 MMP1 (0.42) MMP1MMP9MMP12ALDH1A1KMT2A
SCHEMBL4223881 0.83 MMP1 (0.41) MMP1MMP9MMP12ALDH1A1KMT2A
SCHEMBL5656608 0.77 MMP1 (0.44) MMP1MMP9MMP12ALDH1A1KMT2A
SCHEMBL5041398 0.77 MMP1 (0.44) MMP1MMP9MMP12ALDH1A1KMT2A
SCHEMBL15670665 0.76 ALDH1A1 (0.41) MMP1MMP9MMP12ALDH1A1KMT2A
SCHEMBL10708795 0.75 MMP1 (0.40) MMP1MMP9MMP12ALDH1A1KMT2A
SCHEMBL15548622 0.75 TSHR (0.50) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL15670569 0.74 MMP1 (0.42) MMP1MMP9MMP12ALDH1A1KMT2A
SCHEMBL15670432 0.74 MMP1 (0.42) MMP1MMP9MMP12ALDH1A1KMT2A

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-111116576-A Quinolizinone compound and preparation method thereof 北京师范大学 2020-05-08 CN disclosed