SCHEMBL30951936

SCHEMBL30951936

Cc1nc2ccccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.64
▸ KDM4E B2RXH2 3/20 0.64
▸ TSHR P16473 2/20 0.56
▸ LMNA P02545 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ GSK3B P49841 3/20 0.53
▸ ALPL P05186 2/20 0.53
▸ ALPG P10696 2/20 0.53
▸ ALPP P05187 1/20 0.53
▸ PLAA Q9Y263 1/20 0.53
▸ APAF1 O14727 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ CYP2C19 P33261 1/20 0.50
▸ KLK6 Q92876 1/20 0.49

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
SCHEMBL12495433 0.84 ALDH1A1 (0.72) ALDH1A1KDM4ETSHRLMNAHTT
SCHEMBL18955316 0.84 KDM4E (0.62) ALDH1A1KDM4ETSHRLMNAHTT
SCHEMBL16421959 0.83 KDM4E (0.73) ALDH1A1KDM4ETSHRLMNAHTT
SCHEMBL5547090 0.82 KDM4E (0.62) ALDH1A1KDM4EHTTHSD17B10SMN1; SMN2
SCHEMBL2686518 0.79 KDM4E (0.46) ALDH1A1KDM4ETSHRLMNAHSD17B10
SCHEMBL3587930 0.79 KDM4E (0.69) ALDH1A1KDM4ETSHRLMNAHTT
SCHEMBL19714470 0.79 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRLMNAHTT
SCHEMBL24744761 0.78 KDM4E (0.46) ALDH1A1KDM4ETSHRLMNAHTT
SCHEMBL24774224 0.78 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRLMNAHTT
SCHEMBL30952847 0.78 KDM4E (0.46) ALDH1A1KDM4ETSHRLMNAHTT

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-2024123195-A1 TARGETED PROTEIN DEGRADATION USING PRODRUGS OF BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN CAPTOR THERAPEUTICS S.A. (PL) 2024-06-13 — — WO disclosed
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