SCHEMBL11723398

SCHEMBL11723398

CC(C)CC(=O)OC(=O)CC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

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 0.37
TDP1 Q9NUW8 1/20 0.37
CA2 P00918 1/20 0.34
MMP8 P22894 1/20 0.34
CYP2C19 P33261 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2D6 P10635 1/20 0.32
MIF P14174 2/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL385886 0.83 ALDH1A1 (0.41) ALDH1A1TDP1CYP2C19CYP2D6MIF
SCHEMBL248143 0.83 ALDH1A1 (0.50) MMP1MMP2MMP3MMP9MMP13
SCHEMBL28992512 0.79 MMP8 (0.33) MMP8
SCHEMBL182236 0.77 ALDH1A1 (0.42) ALDH1A1TDP1CYP2C19MIFLMNA
SCHEMBL181910 0.77 MMP1 (0.45) MMP1MMP2MMP3MMP9MMP13
SCHEMBL8366458 0.77 ALDH1A1 (0.48) MMP1MMP2MMP3MMP9MMP13
SCHEMBL181730 0.76 MIF (0.32) MMP8MIFLMNA
SCHEMBL27437177 0.74 CYP2C19 (0.37) MMP1MMP2MMP3MMP9MMP13
SCHEMBL4644220 0.73 ALDH1A1 (0.33) ALDH1A1MIFLMNA
SCHEMBL18127624 0.73 ALDH1A1 (0.44) MMP1MMP2MMP3MMP9MMP13

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4023981-A PIGMENTS PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1977-05-17 US disclosed
US-3991007-A Process for the preparation of pigmentary particles coated with an organic polymer and compositions resulting therefrom PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-11-09 US disclosed