SCHEMBL25035199

SCHEMBL25035199

COc1ccc(OCCCC(=O)OC(C)(C)C)cc1NCCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 4/20 0.43
EGFR P00533 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIRT5 Q9NXA8 1/20 0.40
S1PR1 P21453 1/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EHMT2 Q96KQ7 1/20 0.39
EHMT1 Q9H9B1 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.38
DHFR P00374 1/20 0.38
HDAC8 Q9BY41 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
SCHEMBL30475479 1.00 TDP1 (0.51) TDP1ALDH1A1EGFRL3MBTL1SIRT5
SCHEMBL25033927 0.91 TDP1 (0.48) TDP1ALDH1A1L3MBTL1SIRT5S1PR1
SCHEMBL30475442 0.82 L3MBTL1 (0.44) ALDH1A1EGFRL3MBTL1MAPTSMN1; SMN2
SCHEMBL25819474 0.80 DHFR (0.48) DHFR
SCHEMBL1520429 0.80 TDP1 (0.72) TDP1ALDH1A1EGFRMAPTSMN1; SMN2
SCHEMBL25035196 0.78 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPTSMN1; SMN2LMNA
SCHEMBL25033924 0.76 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPTSMN1; SMN2DHFR
SCHEMBL30475472 0.75 HPGD (0.43) ALDH1A1L3MBTL1MAPTSMN1; SMN2LMNA
SCHEMBL25819476 0.74 MAPT (0.44) ALDH1A1L3MBTL1MAPTSMN1; SMN2LMNA
SCHEMBL11509277 0.73 TDP1 (0.57) TDP1ALDH1A1L3MBTL1MAPTSMN1; SMN2

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
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023018238-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed