SCHEMBL28460107

SCHEMBL28460107

CC(C)(C)c1cc(-c2ccncc2)cc(C=O)c1O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 15/20 0.61
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL29790313 1.00 ERN1 (0.61) ERN1CA1CA2ALOX5PTGS2
SCHEMBL30554385 0.85 CA2 (0.59) ERN1CA1CA2CYP1A2CYP2C9
SCHEMBL6443271 0.84 ERN1 (0.51) ERN1CA1CA2CYP1A2CYP2C9
SCHEMBL11773552 0.83 ERN1 (0.49) ERN1CA1CA2CYP1A2CYP2C9
SCHEMBL28457610 0.80 ERN1 (0.66) ERN1CA1CA2ALOX5
SCHEMBL4136634 0.79 ERN1 (0.46) ERN1CA1CA2CYP1A2CYP2C9
SCHEMBL12766785 0.76 ERN1 (1.00) ERN1
SCHEMBL28997375 0.74 ERN1 (0.41) ERN1CA1CA2ALOX5PTGS2
SCHEMBL30222051 0.73 ERN1 (0.47) ERN1CA1CA2CYP1A2CYP2C9
SCHEMBL207854 0.73 ERN1 (0.47) ERN1CA1CA2CYP1A2CYP2C9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894347-A Salen ligand-based tetranuclear cobalt complex, and preparation method and application thereof 广西师范大学 2023-04-04 CN claimed
CN-110433863-B Preparation method of catalyst for synthesizing dimethyl carbonate 山东德普新材料科技有限公司 2022-09-09 CN claimed
CN-110449189-B Catalyst for synthesizing dimethyl carbonate and preparation method thereof 山东德普化工科技有限公司 2020-09-22 CN claimed
CN-115894347-A Salen ligand-based tetranuclear cobalt complex, and preparation method and application thereof 广西师范大学 2023-04-04 CN disclosed
CN-110433863-B Preparation method of catalyst for synthesizing dimethyl carbonate 山东德普新材料科技有限公司 2022-09-09 CN disclosed
CN-108503848-B Salen-Rh (II) coordination polymer and preparation method and application thereof 邯郸学院 2020-09-22 CN disclosed
CN-110449189-B Catalyst for synthesizing dimethyl carbonate and preparation method thereof 山东德普化工科技有限公司 2020-09-22 CN disclosed