SCHEMBL491259

SCHEMBL491259

CCCCCCOc1c(O)ccc(CC)c1CC.Cc1cnnnc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.41
TDP1 Q9NUW8 1/20 0.34
CNR2 P34972 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ALOX5 P09917 5/20 0.33
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
CCNB2 O95067 1/20 0.32
CCNE2 O96020 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32

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 0.89 SOAT1 (0.40) SOAT1ALOX5
SCHEMBL64304 0.89 SOAT1 (0.40) SOAT1ALOX5
SCHEMBL1276212 0.89 SOAT1 (0.40) SOAT1TDP1CNR2MEN1CYP1A2
SCHEMBL28980883 0.88 SOAT1 (0.42) SOAT1TDP1CNR2MEN1CYP1A2
Guaiacol SCHEMBL29291130 0.85 SOAT1 (0.37) SOAT1CNR2ALOX5
SCHEMBL28661944 0.85 ESR1 (0.34) ALOX5TRPV1
SCHEMBL27825581 0.83 SOAT1 (0.40) SOAT1CNR2ALOX5LTB4RLTB4R2
Benzoic Acid Hexyl Ester SCHEMBL28235563 0.82 CNR2 (0.42) CNR2MEN1KMT2A
SCHEMBL3382019 0.81 LTB4R (0.37) SOAT1LTB4RLTB4R2
SCHEMBL15796889 0.79 PTPN11 (0.33) SOAT1CNR2ALOX5LTB4RLTB4R2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112544571-B Establishment and application of caenorhabditis elegans model for evaluating safety and efficacy of sun-screening agent 上海应用技术大学 2023-03-03 CN disclosed
CN-112544571-A Establishment and application of caenorhabditis elegans model for evaluating safety and efficacy of sun-screening agent 上海应用技术大学 2021-03-26 CN disclosed
US-8105616-B2 Skin-pampering cream lotion BEIERSDORF AG (DE) 2012-01-31 US disclosed
US-20060193806-A1 Skin-pampering cream lotion BEIERSDORF AG 2006-08-31 US disclosed