SCHEMBL30452264

SCHEMBL30452264

CCCCCC(CC)OC(=O)C(=Cc1ccccc1)OC.COC(C(=O)O)=C(CCCCCC(C)C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.34
PTGS2 P35354 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
PRSS1 P07477 1/20 0.32
CTSG P08311 1/20 0.32
CTRB1 P17538 1/20 0.32
CMA1 P23946 1/20 0.32
TLR2 O60603 1/20 0.32

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
SCHEMBL170191 0.96 TDP1 (0.40) TDP1LMNAALDH1A1PTGS2CTSL
SCHEMBL30497044 0.88 TDP1 (0.38) TDP1LMNAALDH1A1CTSLCTSB
Stearic Acid SCHEMBL15049028 0.83 TDP1 (0.43) TDP1LMNAALDH1A1CTSLCTSB
SCHEMBL14698302 0.83 CTSK (0.44) TDP1LMNAALDH1A1CTSLCTSB
SCHEMBL62157 0.83 CTSK (0.44) TDP1LMNAALDH1A1CTSLCTSB
SCHEMBL27732194 0.82 CTSK (0.40) TDP1LMNAALDH1A1CTSLCTSB
SCHEMBL19717782 0.82 CTSK (0.42) TDP1LMNAALDH1A1CTSLCTSB
SCHEMBL30779116 0.81 TDP1 (0.44) TDP1LMNAALDH1A1PTGS2CES2
Glycine SCHEMBL4305400 0.78 CTSK (0.40) TDP1LMNAALDH1A1CTSLCTSB
Cinnamic Acid SCHEMBL14166230 0.77 EGFR (0.44) LMNAALDH1A1CTSLCTSBCTSK

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-112672727-B Titanium dioxide dispersion 禾大国际股份公开有限公司 2023-05-23 CN disclosed