SCHEMBL28164201

SCHEMBL28164201

CCCCCCCCCC1=CC(=O)C=C(OC)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 18/20 1.00
PTGS2 P35354 5/20 1.00
GLS2 Q9UI32 3/20 1.00
MPEG1 Q2M385 6/20 0.55

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
SCHEMBL17822126 1.00 ALOX5 (1.00) ALOX5PTGS2GLS2MPEG1
SCHEMBL18586437 1.00 ALOX5 (1.00) ALOX5PTGS2GLS2MPEG1
SCHEMBL31040564 1.00 ALOX5 (1.00) ALOX5PTGS2GLS2MPEG1
Primin SCHEMBL362895 0.98 ALOX5 (1.00) ALOX5PTGS2GLS2MPEG1
Irisquinone A SCHEMBL13246144 0.91 ALOX5 (0.83) ALOX5PTGS2GLS2MPEG1
SCHEMBL9578753 0.88 ALOX5 (0.78) ALOX5PTGS2GLS2MPEG1
SCHEMBL9578749 0.88 ALOX5 (0.78) ALOX5PTGS2GLS2MPEG1
SCHEMBL11779155 0.84 ALOX5 (0.71) ALOX5PTGS2GLS2MPEG1
SCHEMBL11023972 0.84 ALOX5 (0.71) ALOX5PTGS2GLS2MPEG1
SCHEMBL30595957 0.84 ALOX5 (0.71) ALOX5PTGS2GLS2MPEG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112315987-A Application of carambola root and extract thereof in preparation of drugs for treating and/or preventing liver cancer 广西国际壮医医院 2021-02-05 CN disclosed
CN-106942531-A It is a kind of to reduce hypertension, the fruit juice of protection target organs of patients with essential hypertension infringement 广西医科大学 2017-07-14 CN disclosed