SCHEMBL26908593

SCHEMBL26908593

CCC(CO)(CO)CO.COc1c(C=O)cc(C)cc1C=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 8/20 0.45
▸ SRC P12931 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ TRIM24 O15164 1/20 0.33
▸ TYR P14679 1/20 0.33
▸ TRIM33 Q9UPN9 1/20 0.33
▸ ACHE P22303 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TUBB1 Q9H4B7 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
SCHEMBL26908594 0.84 ERN1 (0.47) ERN1SRCALDH1A1CYP1A2CYP2C19
SCHEMBL26908591 0.83 CA1 (0.56) ERN1SRCALDH1A1CYP1A2CYP2C19
SCHEMBL26908517 0.82 AKR1B1 (0.34) ERN1SRCALDH1A1CYP1A2CYP2C19
SCHEMBL26908621 0.81 ALDH1A1 (0.33) ERN1SRCALDH1A1CYP1A2CYP2C19
SCHEMBL6737227 0.81 ERN1 (0.57) ERN1SRCALDH1A1CA1CA2
SCHEMBL26908519 0.80 ALDH1A1 (0.33) ERN1SRCALDH1A1CYP1A2CYP2C19
SCHEMBL26908552 0.80 CA1 (0.41) ERN1SRCALDH1A1CYP1A2CYP2C19
SCHEMBL26908527 0.79 ALDH1A1 (0.58) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL26908542 0.78 USP2 (0.36) ERN1ALDH1A1
SCHEMBL26908506 0.78 ALDH1A1 (0.56) ERN1ALDH1A1KDM4ETSHRTDP1

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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