SCHEMBL25812326

SCHEMBL25812326

CC(C)CC(=O)OCCOC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
PRKCA P17252 2/20 0.36
CA2 P00918 1/20 0.34
DPP4 P27487 1/20 0.34
DGKA P23743 1/20 0.33
PRKD3 O94806 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCI P41743 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCZ Q05513 1/20 0.33
PRKCD Q05655 1/20 0.33

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
SCHEMBL18378814 0.89 MMP1 (0.46) MMP1MMP2MMP3MMP9MMP13
SCHEMBL7630194 0.82 MMP1 (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL7631813 0.82 MMP1 (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL14599805 0.82 MMP1 (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL27630833 0.80 NAAA (0.48) ALDH1A1DGKA
SCHEMBL2256279 0.80 MMP1 (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL16858300 0.79 CA1 (0.40) ALDH1A1TDP1CA2DGKA
SCHEMBL22340214 0.79 DGKA (0.36) MMP1MMP2MMP3MMP9MMP13
SCHEMBL25375463 0.79 CACNA2D1 (0.51) ALDH1A1PRKCAPRKCE
SCHEMBL8194855 0.78 ALDH1A1 (0.38) ALDH1A1TDP1DGKA

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-20230203579-A1 NANOARRAYS AND METHODS OF USE THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-06-29 US disclosed