SCHEMBL30228109

SCHEMBL30228109

Cc1ccccc1-c1cc(=O)oc2cc(COCC(F)(F)F)ccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 3/20 0.47
▸ CA9 Q16790 3/20 0.44
▸ CA12 O43570 2/20 0.44
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ AR P10275 8/20 0.43
▸ MAOB P27338 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA5A P35218 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
SCHEMBL30228019 0.93 CA12 (0.41) KCNA3CA9CA12ESR1ESR2
SCHEMBL30228486 0.89 KCNA3 (0.49) KCNA3CA9CA12ESR1ESR2
SCHEMBL30227920 0.83 KCNA3 (0.53) KCNA3CA9CA12ARMAOB
SCHEMBL30228351 0.81 CA12 (0.43) KCNA3CA9CA12ESR1ESR2
SCHEMBL30228381 0.80 KCNA3 (0.56) KCNA3CA9CA12MAOBNPC1
Hydrochloric Acid SCHEMBL30228355 0.78 KCNA3 (0.55) KCNA3CA9CA12MAOBNPC1
SCHEMBL30228517 0.77 KCNA3 (0.54) KCNA3CA9CA12MAOBNPC1
SCHEMBL30283853 0.76 ROCK1 (0.39) ESR1ESR2
SCHEMBL30228231 0.76 KCNA3 (0.53) KCNA3CA9CA12MAOBNPC1
SCHEMBL31710481 0.75 KCNA3 (0.52) KCNA3CA9CA12MAOBMAOA

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
Send feedback