SCHEMBL30932995

SCHEMBL30932995

COc1cc(C2COc3cc(O)ccc3C2)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.67
ESR2 Q92731 1/20 0.67
TTR P02766 1/20 0.67
ALOX15 P16050 4/20 0.55
ALOX12 P18054 4/20 0.55
ALOX15B O15296 2/20 0.54
PTPN1 P18031 2/20 0.52
QDPR P09417 1/20 0.50
ALOX5 P09917 1/20 0.49
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
CYP3A4 P08684 1/20 0.48
CA2 P00918 2/20 0.47
NR3C1 P04150 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL30851574 1.00 ESR1 (0.67) ESR1ESR2TTRALOX15ALOX12
SCHEMBL17963715 1.00 ESR1 (0.67) ESR1ESR2TTRALOX15ALOX12
SCHEMBL30661262 0.85 ESR1 (0.60) ESR1ESR2TTRALOX15ALOX12
SCHEMBL30217572 0.84 ESR1 (0.78) ESR1ESR2TTRALOX15ALOX12
SCHEMBL30912699 0.84 ESR1 (0.78) ESR1ESR2TTRALOX15ALOX12
SCHEMBL17938800 0.84 ESR1 (0.78) ESR1ESR2TTRALOX15ALOX12
SCHEMBL38662450 0.83 ESR1 (0.76) ESR1ESR2TTRALOX15ALOX12
SCHEMBL12914761 0.83 ESR1 (0.76) ESR1ESR2TTRALOX15ALOX12
SCHEMBL30912709 0.82 ALOX15 (0.72) ESR1ESR2TTRALOX15ALOX12
SCHEMBL30933011 0.82 ALOX15 (0.72) ESR1ESR2TTRALOX15ALOX12

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-122055354-A Lipid compounds and related compositions and uses 波西达治疗公司 2026-05-15 CN disclosed
CN-117813017-A Method for improving intestinal microbiota diversity 雀巢产品有限公司 2024-04-02 CN disclosed