SCHEMBL30228052

SCHEMBL30228052

O=c1cc(-c2ccc(F)cc2Cl)c2ccc(CO)cc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 8/20 0.48
▸ CA9 Q16790 8/20 0.48
▸ ALOX5 P09917 3/20 0.43
▸ ESR1 P03372 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ CDK2 P24941 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ GRM2 Q14416 1/20 0.39
▸ ALDH2 P05091 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ MAOA P21397 1/20 0.39

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
SCHEMBL30227943 0.88 CA12 (0.45) CA12CA9ALOX5ESR1KDM4E
SCHEMBL30228288 0.84 KDM4E (0.47) CA12CA9ALOX5ESR1KDM4E
SCHEMBL30228086 0.84 CA12 (0.43) CA12CA9ALOX5ESR1KDM4E
SCHEMBL20839408 0.83 CA12 (0.69) CA12CA9ESR1KDM4EALDH2
SCHEMBL30228226 0.83 CA12 (0.69) CA12CA9ESR1KDM4EALDH2
SCHEMBL30228300 0.82 MEN1 (0.42) CA12CA9ALOX5ESR1KDM4E
SCHEMBL30228404 0.82 CA12 (0.41) CA12CA9ALOX5ESR1KDM4E
SCHEMBL30228177 0.81 KDM4E (0.49) CA12CA9ESR1KDM4ESMN1; SMN2
SCHEMBL30228096 0.81 CA12 (0.48) CA12CA9KDM4EMAOBMEN1
SCHEMBL30227956 0.81 CA12 (0.48) CA12CA9ALOX5ESR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023034346-A1 CHROMEN-2-ONE MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
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