SCHEMBL24616786

SCHEMBL24616786

COc1ccc(COC(=O)CC(C)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 2/20 0.49
ATM Q13315 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
LDHA P00338 1/20 0.47
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
KLK7 P49862 1/20 0.46
GAA P10253 2/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL24387633 1.00 HTT (0.51) HTTALDH1A1KMT2AATML3MBTL1
SCHEMBL6154504 0.89 ALDH1A1 (0.51) HTTALDH1A1KMT2AATML3MBTL1
SCHEMBL5317083 0.89 ALDH1A1 (0.51) HTTALDH1A1KMT2AATMLDHA
SCHEMBL7360535 0.86 ALDH1A1 (0.49) HTTALDH1A1KMT2AATML3MBTL1
SCHEMBL7360527 0.86 ALDH1A1 (0.49) HTTALDH1A1KMT2AATML3MBTL1
SCHEMBL7669900 0.84 ALDH1A1 (0.51) HTTALDH1A1KMT2AATML3MBTL1
SCHEMBL8992132 0.84 LDHA (0.53) HTTALDH1A1KMT2AATML3MBTL1
SCHEMBL2574460 0.84 ALDH1A1 (0.51) HTTALDH1A1KMT2AATML3MBTL1
SCHEMBL14517244 0.84 ALDH1A1 (0.48) HTTALDH1A1KMT2AATML3MBTL1
SCHEMBL20346809 0.84 LDHA (0.53) HTTALDH1A1KMT2AATML3MBTL1

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-2022038365-A9 FUMARATE DERIVATIVES AND THEIR MEDICAL USE SITRYX THERAPEUTICS LIMITED (GB) 2022-07-14 WO disclosed