SCHEMBL30227924

SCHEMBL30227924

CCOC(=O)CCc1ccc2c(-c3ccccc3C)cc(=O)oc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.46
▸ ALDH1A1 P00352 8/20 0.46
▸ HPGD P15428 6/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ KDM4E B2RXH2 4/20 0.45
▸ LMNA P02545 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ GAA P10253 3/20 0.45
▸ GLA P06280 3/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ MEN1 O00255 4/20 0.43
▸ CYP4F2 P78329 1/20 0.43
▸ CYP4A11 Q02928 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ AR P10275 1/20 0.41

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
SCHEMBL30228194 0.91 KCNA3 (0.48) KCNA3ALDH1A1HPGDKMT2AKDM4E
SCHEMBL30228338 0.86 KCNA3 (0.50) KCNA3ALDH1A1HPGDKDM4EGAA
SCHEMBL30231695 0.83 ALDH1A1 (0.58) ALDH1A1HPGDKMT2AKDM4ELMNA
SCHEMBL30228324 0.82 ALDH1A1 (0.49) KCNA3ALDH1A1HPGDKMT2AKDM4E
SCHEMBL31710481 0.79 KCNA3 (0.52) KCNA3ALDH1A1HPGDKDM4ELMNA
SCHEMBL30227980 0.79 NPC1 (0.45) KCNA3ALDH1A1HPGDKMT2AGAA
SCHEMBL30227912 0.79 IGLV6-57 (0.50) KCNA3ALDH1A1HPGDKMT2AKDM4E
SCHEMBL30228381 0.79 KCNA3 (0.56) KCNA3ALDH1A1HPGDKMT2AKDM4E
SCHEMBL30227920 0.78 KCNA3 (0.53) KCNA3ALDH1A1HPGDKMT2AKDM4E
Hydrochloric Acid SCHEMBL30228355 0.78 KCNA3 (0.55) KCNA3ALDH1A1HPGDKMT2AKDM4E

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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