SCHEMBL29954050

SCHEMBL29954050

CC(C)c1ccc2[nH]c(C(C)(C)C)c(C=O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ KIF11 P52732 1/20 0.40
▸ HPGD P15428 1/20 0.38
▸ TYR P14679 2/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ HTR1D P28221 2/20 0.35
▸ MAPT P10636 5/20 0.34
▸ HTT P42858 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ EIF4A3 P38919 2/20 0.34
▸ UBE2N P61088 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HTR1B P28222 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32

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
SCHEMBL29956720 0.80 KIF11 (0.50) KIF11HPGDHTR1DHTR1BMEN1
SCHEMBL29951414 0.79 MEN1 (0.44) KDM4EGAAKIF11HPGDHTT
SCHEMBL29951788 0.79 HPGD (0.44) HPGDMAPTALDH1A1LMNA
SCHEMBL10067359 0.78 KDM4E (0.44) KDM4EGAAKIF11HTR1DMAPT
SCHEMBL1429232 0.77 ALDH1A1 (0.53) KDM4EGAAHPGDMAPTALDH1A1
SCHEMBL29954927 0.77 KIF11 (0.40) KDM4EKIF11HPGDHTR1DMAPT
SCHEMBL3921504 0.75 KIF11 (0.53) KDM4EKIF11HPGDMAPTALDH1A1
SCHEMBL29956620 0.75 L3MBTL1 (0.58) HPGDL3MBTL1MEN1KMT2A
SCHEMBL29951382 0.75 HPGD (0.43) KIF11HPGDPTPN1
SCHEMBL29952372 0.74 HPGD (0.64) GAAKIF11HPGDMAPTALDH1A1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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