SCHEMBL27411557

SCHEMBL27411557

CCCCC(CC)COCC(COc1ccccc1)OCCOCC(C)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CA2 P00918 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.37
▸ PLA2G2A P14555 7/20 0.36
▸ PLA2G10 O15496 3/20 0.36
▸ PLA2G1B P04054 2/20 0.36
▸ PLA2G5 P39877 2/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ LTA4H P09960 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL27411577 0.88 CYP3A4 (0.39) LMNAALDH1A1CYP3A4CA2PLA2G2A
SCHEMBL26802641 0.86 ALDH1A1 (0.40) LMNAALDH1A1CYP3A4CA2PLA2G2A
SCHEMBL27411607 0.82 ALDH1A1 (0.37) LMNAALDH1A1CYP3A4CA2KDM4E
SCHEMBL24090581 0.81 ALDH1A1 (0.44) LMNAALDH1A1CYP3A4CA2KDM4E
SCHEMBL22710209 0.80 LTA4H (0.51) LMNAALDH1A1CYP3A4CA2PRSS1
SCHEMBL21989183 0.80 ALDH1A1 (0.48) LMNAALDH1A1CYP3A4CA2KDM4E
SCHEMBL12222371 0.79 LMNA (0.50) LMNAALDH1A1PLA2G2APLA2G10PLA2G1B
SCHEMBL30308949 0.78 CYP3A4 (0.55) LMNAALDH1A1CYP3A4CA2PRSS1
SCHEMBL19418848 0.77 CYP3A4 (0.50) LMNAALDH1A1CYP3A4CA2MAPK1
SCHEMBL20590367 0.76 LMNA (0.69) LMNAALDH1A1CYP3A4ALOX5PPARG

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-12018388-B2 Oxyalkylated surfactants as corrosion inhibitors ECOLAB USA INC. (US) 2024-06-25 — — US disclosed
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