SCHEMBL3382019

SCHEMBL3382019

CCCCCCOc1c(CC)cccc1C(=O)O.CCCCCCOc1c(O)ccc(CC)c1CC.COc1cnnnc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.37
LTB4R2 Q9NPC1 5/20 0.37
PTPN11 Q06124 3/20 0.36
NEK2 P51955 1/20 0.35
PPARA Q07869 1/20 0.35
SOAT1 P35610 1/20 0.34
MAPK8 P45983 1/20 0.34

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
SCHEMBL28296116 0.92 SOAT1 (0.40) SOAT1
SCHEMBL64304 0.92 SOAT1 (0.40) SOAT1
Guaiacol SCHEMBL29291130 0.88 SOAT1 (0.37) SOAT1
Salicylic Acid SCHEMBL29268597 0.88 LTB4R (0.34) LTB4RLTB4R2PTPN11NEK2SOAT1
SCHEMBL1984480 0.86 SOAT1 (0.41) PPARASOAT1
SCHEMBL118832 0.86 SOAT1 (0.41) PPARASOAT1
Benzoic Acid Hexyl Ester SCHEMBL28235563 0.86 CNR2 (0.42)
SCHEMBL1276212 0.85 SOAT1 (0.40) LTB4RLTB4R2PTPN11SOAT1
SCHEMBL15796889 0.83 PTPN11 (0.33) LTB4RLTB4R2PTPN11SOAT1
SCHEMBL2896022 0.82 SOAT1 (0.39) SOAT1

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-1380288-B1 Cosmetic and dermatological photoprotective compositions containing hydrophobic acrylamidomethylpropanesulphonic acid (AMPS) polymer CLARIANT INTERNAT AG (CH) 2010-11-17 EP disclosed