SCHEMBL30952847

SCHEMBL30952847

Cc1nc2c(C(=O)O)cccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ PKN1 Q16512 1/20 0.43
▸ PKN2 Q16513 1/20 0.43
▸ KMT2A Q03164 1/20 0.38
▸ ALOX5AP P20292 1/20 0.38
▸ CACNA1B Q00975 1/20 0.37
▸ TSHR P16473 3/20 0.36
▸ PIK3C2B O00750 4/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3R1 P27986 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SAE1 Q9UBE0 1/20 0.36
▸ UBA2 Q9UBT2 1/20 0.36

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
SCHEMBL24744761 1.00 KDM4E (0.46) KDM4EALDH1A1PKN1PKN2KMT2A
SCHEMBL24744762 0.88 PKN1 (0.47) KDM4EALDH1A1PKN1PKN2KMT2A
SCHEMBL29893726 0.88 PKN1 (0.47) KDM4EALDH1A1PKN1PKN2KMT2A
SCHEMBL24774224 0.83 ALDH1A1 (0.46) KDM4EALDH1A1PKN1PKN2KMT2A
SCHEMBL31090614 0.83 DHODH (0.48) KDM4EALDH1A1CACNA1BPIK3C2BPIK3CD
SCHEMBL24745714 0.83 DHODH (0.48) KDM4EALDH1A1CACNA1BPIK3C2BPIK3CD
SCHEMBL24744906 0.81 KDM4E (0.37) KDM4EALDH1A1CACNA1BPIK3C2BHTT
SCHEMBL31090610 0.81 PIK3C2B (0.40) KDM4EALDH1A1CACNA1BPIK3C2BPIK3CD
SCHEMBL24745592 0.81 PIK3C2B (0.40) KDM4EALDH1A1CACNA1BPIK3C2BPIK3CD
SCHEMBL24745459 0.81 ALDH1A1 (0.37) KDM4EALDH1A1CACNA1BPIK3C2BLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4630415-A1 TARGETED PROTEIN DEGRADATION USING PRODRUGS OF BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN Captor Therapeutics S.A. (PL) 2025-10-15 — — EP disclosed
WO-2024121259-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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