SCHEMBL27411607

SCHEMBL27411607

C=C(OCCOC(COCC(CC)CCCC)COc1ccccc1)C(=N)C(C)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CA2 P00918 1/20 0.37
▸ LMNA P02545 4/20 0.35
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PLA2G10 O15496 2/20 0.33
▸ PLA2G2A P14555 2/20 0.33
▸ PLA2G1B P04054 1/20 0.33
▸ PLA2G5 P39877 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ LTA4H P09960 1/20 0.31
▸ MEN1 O00255 1/20 0.31

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 0.82 LMNA (0.46) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL26802641 0.79 ALDH1A1 (0.40) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL27411577 0.77 CYP3A4 (0.39) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL24090581 0.74 ALDH1A1 (0.44) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL21989183 0.73 ALDH1A1 (0.48) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL4913490 0.70 ALDH1A1 (0.54) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL22710209 0.69 LTA4H (0.51) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL30308949 0.69 CYP3A4 (0.55) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL22217129 0.69 PPARD (0.37) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL24090677 0.69 ALDH1A1 (0.37) ALDH1A1CYP3A4CA2LMNAPRSS1

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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