SCHEMBL31291504

SCHEMBL31291504

CC(C)(C)OOC(C)(C)c1ccccc1C(C)(C)OOC(C)(C)C.CCCCC(CC(C)(OOC(C)(C)C)OOC(C)(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.40
ALOX5 P09917 4/20 0.40
PPARG P37231 4/20 0.40
MAPK1 P28482 2/20 0.40
CA2 P00918 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MMP2 P08253 3/20 0.37
MMP3 P08254 3/20 0.37
PRSS1 P07477 1/20 0.37
CTSG P08311 1/20 0.37
CTRB1 P17538 1/20 0.37
CMA1 P23946 1/20 0.37
CTSK P43235 4/20 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
SCHEMBL22530 0.85 CA2 (0.53) PTGESALOX5PPARGMAPK1CA2
Cyclohexane SCHEMBL1991228 0.81 CA2 (0.49) PTGESALOX5PPARGMAPK1CA2
SCHEMBL8429202 0.81 CA2 (0.49) PTGESALOX5PPARGMAPK1CA2
SCHEMBL6750195 0.76 L3MBTL1 (0.38) PTGESALOX5PPARGMAPK1CA2
Dodecane SCHEMBL12471717 0.74 MAPK1 (0.39) MAPK1MEN1ALDH1A1MAPTKMT2A
SCHEMBL1883197 0.74 CA2 (0.50) PTGESALOX5PPARGMAPK1CA2
SCHEMBL18040115 0.74 MMP2 (0.37) PTGESALOX5PPARGMAPK1CA2
2-Ethylhexanoic Acid SCHEMBL28622409 0.73 MAPK1 (0.59) PTGESALOX5PPARGMAPK1CA2
SCHEMBL6763270 0.73 CA2 (0.46) PTGESALOX5PPARGMAPK1CA2
SCHEMBL8387652 0.72 CA2 (0.40) PTGESALOX5PPARGMAPK1CA2

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
EP-3669382-B1 INSULATION COMPOSITION SI GROUP SWITZERLAND GMBH (CH) 2025-01-01 EP claimed