SCHEMBL30228007

SCHEMBL30228007

Cc1ccccc1-c1cc(=O)oc2cc(CC(C#N)CO)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 3/20 0.46
▸ CA9 Q16790 6/20 0.40
▸ CA12 O43570 5/20 0.40
▸ MAOB P27338 2/20 0.39
▸ ALDH2 P05091 2/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ HSD17B3 P37058 1/20 0.39
▸ SORD Q00796 1/20 0.39
▸ ALDH1A1 P00352 7/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ HPGD P15428 5/20 0.38
▸ IGLV6-57 P01721 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA5A P35218 1/20 0.37

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
SCHEMBL30227941 0.88 KCNA3 (0.44) KCNA3CA9CA12MAOBALDH2
SCHEMBL30227976 0.79 KCNA3 (0.48) KCNA3CA9CA12MAOBALDH2
SCHEMBL30228317 0.78 KCNA3 (0.47) KCNA3CA9CA12MAOBALDH2
SCHEMBL30228319 0.78 KCNA3 (0.47) KCNA3CA9CA12MAOBALDH2
SCHEMBL30228381 0.78 KCNA3 (0.56) KCNA3CA9CA12MAOBALDH2
SCHEMBL30228231 0.77 KCNA3 (0.53) KCNA3CA9CA12MAOBMAOA
Hydrochloric Acid SCHEMBL30228355 0.77 KCNA3 (0.55) KCNA3CA9CA12MAOBALDH2
SCHEMBL30228324 0.77 ALDH1A1 (0.49) KCNA3CA9CA12ALDH2ALDH1A1
SCHEMBL30228296 0.77 KCNA3 (0.46) KCNA3CA9CA12MAOBALDH2
SCHEMBL31710481 0.76 KCNA3 (0.52) KCNA3CA9CA12MAOBALDH2

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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