SCHEMBL27411577

SCHEMBL27411577

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ CA2 P00918 1/20 0.37
▸ PLA2G2A P14555 8/20 0.36
▸ PLA2G10 O15496 3/20 0.36
▸ PLA2G1B P04054 2/20 0.36
▸ PLA2G5 P39877 2/20 0.36
▸ LTA4H P09960 2/20 0.35
▸ LMNA P02545 3/20 0.34
▸ ALOX5 P09917 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33

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
SCHEMBL27411557 0.88 LMNA (0.46) CYP3A4ALDH1A1CA2PLA2G2APLA2G10
SCHEMBL26802641 0.88 ALDH1A1 (0.40) CYP3A4ALDH1A1CA2PLA2G2APLA2G10
SCHEMBL18651718 0.84 LMNA (0.41) LMNA
SCHEMBL24090581 0.80 ALDH1A1 (0.44) CYP3A4ALDH1A1CA2LTA4HLMNA
SCHEMBL22710209 0.80 LTA4H (0.51) CYP3A4ALDH1A1CA2LTA4HLMNA
SCHEMBL30308949 0.77 CYP3A4 (0.55) CYP3A4ALDH1A1CA2LTA4HLMNA
SCHEMBL27411607 0.77 ALDH1A1 (0.37) CYP3A4ALDH1A1CA2PLA2G2APLA2G10
SCHEMBL4913490 0.75 ALDH1A1 (0.54) CYP3A4ALDH1A1CA2LTA4HLMNA
SCHEMBL9888763 0.75 CYP3A4 (0.53) CYP3A4ALDH1A1CA2LMNAMAPK1
SCHEMBL12172005 0.74 LMNA (0.43) PLA2G2APLA2G10PLA2G1BPLA2G5LTA4H

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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