SCHEMBL29953493

SCHEMBL29953493

Cc1cc(C)c2[nH]c(C3CCCCC3)c(C=O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
PSMB5 P28074 1/20 0.40
ABCB1 P08183 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 3/20 0.34
ALDH1A1 P00352 3/20 0.34
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
KMT2A Q03164 2/20 0.33
NR1I2 O75469 1/20 0.33
KDM4B O94953 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
DOHH Q9BU89 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL29955402 0.93 MAPT (0.44) MAPTPSMB5ABCB1KDM4EHSD17B10
SCHEMBL29951429 0.86 APOL1 (0.33) PSMB5KDM4ENR1I2KDM4BCHRM1
SCHEMBL29951956 0.83 TRIM24 (0.41) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL29957701 0.82 ALDH1A1 (0.37) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL29954922 0.80 DYRK1A (0.35) MAPTKDM4EHSD17B10ALDH1A1KMT2A
SCHEMBL29957135 0.79 ERN1 (0.37) MAPTPSMB5KDM4EHSD17B10ALDH1A1
SCHEMBL29957489 0.79 SIRT1 (0.46) MAPTKDM4EHSD17B10ALDH1A1KMT2A
SCHEMBL29951584 0.78 APOL1 (0.34)
SCHEMBL29952619 0.77 TRIM24 (0.43) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL29952685 0.75 MAPT (0.50) MAPTABCB1KDM4EHSD17B10ALDH1A1

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