SCHEMBL28291847

SCHEMBL28291847

CC(C)N(C(=O)Oc1cccs1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42
ALOX5 P09917 2/20 0.41
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 3/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
PLA2G1B P04054 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
SRD5A1 P18405 1/20 0.35

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
SCHEMBL4596139 0.85 ALOX5 (0.47) MMP1MMP2MMP9MMP12ALOX5
SCHEMBL4594158 0.79 MMP1 (0.44) MMP1MMP2MMP9MMP12ALOX5
SCHEMBL8228297 0.77 MMP1 (0.45) MMP1MMP2MMP9MMP12ALOX5
SCHEMBL27286295 0.76 MEN1 (0.55) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL27458824 0.75 MMP1 (0.44) MMP1MMP2MMP9MMP12ALOX5
SCHEMBL4595045 0.75 MMP1 (0.41) MMP1MMP2MMP9MMP12ALOX5
SCHEMBL6220620 0.74 MMP1 (0.46) MMP1MMP2MMP9MMP12ALOX5
SCHEMBL28311881 0.74 MMP1 (0.43) MMP1MMP2MMP9MMP12ALOX5
SCHEMBL3399442 0.74 MMP1 (0.43) MMP1MMP2MMP9MMP12ALOX5
SCHEMBL41616 0.74 MMP1 (0.43) MMP1MMP2MMP9MMP12ALOX5

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-109601288-A A kind of triticale implantation methods 刘占鑫 2019-04-12 CN disclosed