SCHEMBL26908519

SCHEMBL26908519

CCC(CO)(CO)CO.CCc1cc(C=O)c(OC)c(C)c1C=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ERN1 O75460 3/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SRC P12931 1/20 0.31

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
SCHEMBL26908544 0.88 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP2C19ERN1CA1
SCHEMBL29818725 0.87 PRKDC (0.37) ALDH1A1CYP1A2CYP2C19ERN1CA1
SCHEMBL26908621 0.83 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP2C19ERN1CA1
SCHEMBL26908517 0.81 AKR1B1 (0.34) ALDH1A1CYP1A2CYP2C19ERN1CA1
SCHEMBL26908593 0.80 ERN1 (0.45) ALDH1A1CYP1A2CYP2C19ERN1CA1
SCHEMBL26908499 0.80 USP2 (0.33) ALDH1A1CYP1A2CYP2C19ERN1CA1
SCHEMBL26908533 0.80 — —
SCHEMBL26908552 0.79 CA1 (0.41) ALDH1A1CYP1A2CYP2C19ERN1CA1
SCHEMBL27223026 0.78 CA1 (0.39) ALDH1A1ERN1CA1CA2SRC
SCHEMBL26908542 0.77 USP2 (0.36) ALDH1A1ERN1LMNA

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
US-20240166867-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-05-23 — — US disclosed
EP-4286448-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-06 — — EP disclosed
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
CN-116829618-A Thermoplastic resin and optical lens comprising the same 三菱瓦斯化学株式会社 2023-09-29 — — CN disclosed
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