SCHEMBL29091958

SCHEMBL29091958

CC(CO)(CO)CO.CCc1ccc(OC)c(C=O)c1C=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 9/20 0.40
▸ PTPRF P10586 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ AOX1 Q06278 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ FDPS P14324 1/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ TLR2 O60603 1/20 0.32
▸ TLR1 Q15399 1/20 0.32
▸ TLR6 Q9Y2C9 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
SCHEMBL29091957 0.91 ERN1 (0.46) ERN1PTPRFALDH1A1AOX1TSHR
SCHEMBL30608695 0.87 ERN1 (0.44) ERN1PTPRFALDH1A1AOX1TSHR
SCHEMBL29091956 0.83 ERN1 (0.41) ERN1PTPRFALDH1A1AOX1TSHR
SCHEMBL26908609 0.79 CA1 (0.40) ERN1ALDH1A1TLR2TLR1TLR6
SCHEMBL26908605 0.78 ERN1 (0.39) ERN1PTPRFALDH1A1AOX1TSHR
SCHEMBL29091959 0.76 ERN1 (0.53) ERN1ALDH1A1LMNATLR2TLR1
SCHEMBL30608694 0.74 ERN1 (0.55) ERN1PTPRFALDH1A1AOX1TSHR
SCHEMBL956660 0.74 ERN1 (0.42) ERN1ALDH1A1AOX1TSHRLMNA
SCHEMBL952392 0.72 ALDH1A1 (0.46) ERN1ALDH1A1POLBTLR2TLR1
SCHEMBL26908504 0.70 ALDH1A1 (0.62) ERN1ALDH1A1TSHRLMNATLR2

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
CN-116940559-A Cyclic diol compound, process for producing the compound, and use of the compound 新日本理化株式会社 2023-10-24 — — CN disclosed
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