SCHEMBL24767486

SCHEMBL24767486

CC(=O)c1ccc2c3cccc4cccc(c5ccc(C(C)=O)c1c25)c43

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
HPGD P15428 7/20 0.47
KDM4E B2RXH2 5/20 0.47
MAPT P10636 5/20 0.46
GAA P10253 3/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 4/20 0.44
HSD17B10 Q99714 4/20 0.44
CYP1A2 P05177 3/20 0.44
POLB P06746 2/20 0.44
GLA P06280 1/20 0.44
CYP2D6 P10635 1/20 0.44
MEN1 O00255 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
THRB P10828 1/20 0.40
BRPF1 P55201 1/20 0.39
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
PBRM1 Q86U86 1/20 0.38

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
SCHEMBL5708408 0.89 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL20472165 0.87 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL13045478 0.85 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL27568692 0.82 HSD17B10 (0.57) ALDH1A1HPGDKDM4ETSHRKMT2A
SCHEMBL30423759 0.82 HSD17B10 (0.57) ALDH1A1HPGDKDM4ETSHRKMT2A
SCHEMBL235518 0.82 HSD17B10 (0.57) ALDH1A1HPGDKDM4ETSHRKMT2A
SCHEMBL8014873 0.81 KDM4E (0.46) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL6757866 0.81 KDM4E (0.46) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL2143289 0.80 PLK1 (0.59) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL31146303 0.79 HSD17B10 (0.50) ALDH1A1HPGDKDM4EMAPTGAA

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-2022264069-A1 METHOD FOR PREPARING FLUOROPHORE- AND CHROMOPHORE-CONTAINING CONJUGATES FOR VISUAL DETECTION OF ANALYTE MOLECULES Sony Group Corporation (JP) 2022-12-22 WO disclosed