SCHEMBL28836992

SCHEMBL28836992

O=C(O)CCn1cc(O)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.66
FABP4 P15090 3/20 0.57
FABP5 Q01469 3/20 0.57
FABP3 P05413 1/20 0.57
TBXAS1 P24557 1/20 0.54
MCL1 Q07820 2/20 0.51
EGLN3 Q9H6Z9 1/20 0.50
CDC25A P30304 1/20 0.49
ALDH1A1 P00352 2/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.48
APEX1 P27695 1/20 0.47
MAPT P10636 1/20 0.47
CMA1 P23946 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL9298008 0.90 FABP4 (0.59) CREBBPFABP4FABP5FABP3TBXAS1
SCHEMBL2546174 0.83 KMT2A (0.62) TBXAS1ALDH1A1PTGDR2MAPTKDM4E
SCHEMBL8527863 0.82 CREBBP (0.64) CREBBPFABP4FABP5FABP3TBXAS1
SCHEMBL6866591 0.82 CREBBP (0.68) CREBBPFABP4FABP5FABP3TBXAS1
SCHEMBL2554994 0.80 CREBBP (1.00) CREBBPFABP4FABP5FABP3ALDH1A1
SCHEMBL1249875 0.80 CREBBP (0.61) CREBBPFABP4FABP5FABP3TBXAS1
SCHEMBL19237507 0.78 CREBBP (0.63) CREBBPFABP4FABP5FABP3TBXAS1
SCHEMBL6090918 0.77 CREBBP (0.58) CREBBPFABP4FABP5FABP3TBXAS1
SCHEMBL12194245 0.76 ALDH1A1 (0.75) CREBBPFABP4FABP5FABP3TBXAS1
SCHEMBL31688775 0.76 MAPT (0.64) CREBBPFABP4FABP5FABP3TBXAS1

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-114040986-A Method of diagnosing disease 4D制药科克有限公司 2022-02-11 CN disclosed