SCHEMBL26908559

SCHEMBL26908559

CC(CO)(CO)CO.COc1cc(C)c(C=O)c(C)c1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 6/20 0.44
▸ ALDH1A1 P00352 7/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ PHPT1 Q9NRX4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ PTGES O14684 1/20 0.33

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
SCHEMBL29091962 0.88 ERN1 (0.37) ERN1ALDH1A1CYP3A4KDM4ETDP1
SCHEMBL26908624 0.87 ERN1 (0.40) ERN1ALDH1A1CYP3A4KDM4ETDP1
SCHEMBL26908531 0.85 LMNA (0.44) ERN1ALDH1A1CYP3A4KDM4ETDP1
SCHEMBL29818620 0.85 ERN1 (0.52) ERN1ALDH1A1CYP3A4KDM4ETDP1
SCHEMBL26908586 0.84 PRKDC (0.42) ERN1ALDH1A1CYP3A4KDM4ETDP1
SCHEMBL26908518 0.80 AKR1B1 (0.36) ERN1ALDH1A1CYP3A4KDM4EMAPT
SCHEMBL26908605 0.78 ERN1 (0.39) ERN1ALDH1A1KDM4ETDP1MAPT
SCHEMBL29091957 0.77 ERN1 (0.46) ERN1ALDH1A1TDP1LMNAPOLB
SCHEMBL29091956 0.77 ERN1 (0.41) ERN1ALDH1A1TDP1POLBHPGD
SCHEMBL26908616 0.77 ALDH1A1 (0.49) ERN1ALDH1A1CYP3A4KDM4ETDP1

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
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
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