SCHEMBL29647869

SCHEMBL29647869

CCN1CCCc2cc(C(=O)c3ccccc3C(=O)O)c(O)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
GAA P10253 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
CASP1 P29466 2/20 0.49
HTT P42858 2/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
ALPL P05186 1/20 0.41
ALPG P10696 1/20 0.41
ACHE P22303 1/20 0.39
PDK1 Q15118 2/20 0.38
PDK2 Q15119 2/20 0.38
PDK3 Q15120 2/20 0.38
PDK4 Q16654 2/20 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
SCHEMBL20021588 1.00 ALDH1A1 (0.49) ALDH1A1GAASMN1; SMN2MAPTCASP1
SCHEMBL6858751 0.82 ALDH1A1 (0.53) ALDH1A1GAASMN1; SMN2MAPTCASP1
SCHEMBL22692579 0.80 ALDH1A1 (0.43) ALDH1A1GAASMN1; SMN2MAPTCASP1
SCHEMBL7096495 0.78 ALDH1A1 (0.45) ALDH1A1GAASMN1; SMN2MAPTCASP1
SCHEMBL22140444 0.78 KMT2A (0.47) ALDH1A1GAASMN1; SMN2MAPTCASP1
SCHEMBL20178669 0.72 ACHE (0.53) ALDH1A1GAAMAPTCASP1HTT
SCHEMBL20178649 0.72 ALDH1A1 (0.52) ALDH1A1GAASMN1; SMN2MAPTCASP1
SCHEMBL6645348 0.71 HRH3 (0.47) ALDH1A1GAASMN1; SMN2MAPTCASP1
SCHEMBL6850945 0.70 HDAC1 (0.44) ALDH1A1GAAMAPTCASP1HTT
SCHEMBL7111918 0.70 ALDH1A1 (0.38) ALDH1A1GAASMN1; SMN2MAPTCASP1

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
CN-109476654-B Novel fluorescent dyes and their use as biomarkers 伊鲁米纳剑桥有限公司 2022-06-10 CN disclosed