SCHEMBL30228076

SCHEMBL30228076

C[C@H](Cc1ccc2c(-c3ccc(F)cc3Cl)cc(=O)oc2c1)C(=O)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ MEN1 O00255 7/20 0.39
▸ KMT2A Q03164 7/20 0.39
▸ ESR1 P03372 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL30228345 1.00 CA12 (0.39) CA12CA9MEN1KMT2AESR1
SCHEMBL30228038 1.00 CA12 (0.39) CA12CA9MEN1KMT2AESR1
SCHEMBL30228404 0.89 CA12 (0.41) CA12CA9MEN1KMT2AESR1
SCHEMBL30228122 0.86 HPGD (0.40) CA12CA9ESR1KDM4ESMN1; SMN2
SCHEMBL30227928 0.85 ALDH1A1 (0.41) CA12CA9MEN1KMT2AESR1
SCHEMBL30228136 0.83 ALDH1A1 (0.41) CA12CA9MEN1KMT2AESR1
SCHEMBL30228300 0.83 MEN1 (0.42) CA12CA9MEN1KMT2AESR1
SCHEMBL30228304 0.82 DPP4 (0.45) CA12CA9ESR1KDM4EGRM2
SCHEMBL30228318 0.82 DPP4 (0.45) CA12CA9ESR1KDM4EGRM2
SCHEMBL30228052 0.80 CA12 (0.48) CA12CA9MEN1KMT2AESR1

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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