SCHEMBL26908549

SCHEMBL26908549

CC(CO)(CO)CO.COc1c(C)c(C=O)cc(C)c1C=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 4/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ AKR1B1 P15121 4/20 0.33
▸ PRKDC P78527 1/20 0.32
▸ USP2 O75604 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ TRIM24 O15164 1/20 0.30
▸ TYR P14679 1/20 0.30
▸ TRIM33 Q9UPN9 1/20 0.30

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
SCHEMBL26908584 0.90 AKR1B1 (0.36) ERN1CA1CA2AKR1B1PRKDC
SCHEMBL29080285 0.89 ERN1 (0.33) ERN1CA1CA2AKR1B1PRKDC
SCHEMBL26908518 0.86 AKR1B1 (0.36) ERN1CA1CA2AKR1B1USP2
SCHEMBL29818737 0.86 PRKDC (0.40) ERN1CA1CA2AKR1B1PRKDC
SCHEMBL26908499 0.86 USP2 (0.33) ERN1CA1CA2AKR1B1PRKDC
SCHEMBL26908624 0.81 ERN1 (0.40) ERN1AKR1B1PRKDCUSP2CYP3A4
SCHEMBL26908535 0.81 CA1 (0.41) ERN1CA1CA2AKR1B1ALDH1A1
SCHEMBL26908512 0.79 CA1 (0.44) ERN1CA1CA2KDM4EALDH1A1
SCHEMBL26908586 0.78 PRKDC (0.42) ERN1PRKDCCYP3A4KDM4EALDH1A1
SCHEMBL26908544 0.78 ALDH1A1 (0.33) ERN1CA1CA2PRKDCALDH1A1

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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