SCHEMBL8617231

SCHEMBL8617231

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
PRKCA P17252 1/20 0.33
TP53 P04637 1/20 0.31
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL1865042 0.85 PRKCA (0.32) MMP1MMP2MMP3MMP9MMP13
SCHEMBL15600025 0.80 MMP1 (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL9862867 0.79 PRKCA (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL4297713 0.79 PRKCA (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL14508460 0.79 TSHR (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL4297712 0.79 PRKCA (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL8947297 0.77 ALDH1A1 (0.39) PRKCATP53TSHRCYP2C19
SCHEMBL15113778 0.77 HMGCR (0.31) MMP1MMP2MMP3MMP9MMP13
Lactic Acid SCHEMBL8871139 0.77 TP53 (0.46) MMP1MMP2MMP3MMP9MMP13
SCHEMBL367661 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760871-B1 PROCESS FOR COATING PHOSPHATIZED METAL SUBSTRATES HERBERTS & CO GMBH (DE) 1998-05-06 EP disclosed
EP-0760871-A1 PROCESS FOR COATING PHOSPHATIZED METAL SUBSTRATES Herberts Gesellschaft mit beschränkter Haftung (DE) 1997-03-12 EP disclosed
WO-1995033083-A1 PROCESS FOR COATING PHOSPHATIZED METAL SUBSTRATES Herberts Gesellschaft mit beschränkter Haftung (DE) 1995-12-07 WO disclosed