SCHEMBL28509017

SCHEMBL28509017

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ THRB P10828 2/20 0.46
▸ GSK3B P49841 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ GRIK1 P39086 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 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
SCHEMBL5513066 0.80 MAPT (0.45) MAPTTHRBGSK3BLMNAGRIK1
SCHEMBL600723 0.79 LMNA (0.52) MAPTTHRBGSK3BLMNAATM
SCHEMBL5799213 0.79 MAPT (0.51) MAPTTHRBGSK3BLMNAATM
SCHEMBL600722 0.79 LMNA (0.52) MAPTTHRBGSK3BLMNAATM
SCHEMBL28505254 0.77 EPHX2 (0.47) MAPTCYP1A2SMN1; SMN2POLBALDH1A1
SCHEMBL6654010 0.76 GSK3B (0.51) MAPTTHRBGSK3BLMNAATM
SCHEMBL6654014 0.76 GSK3B (0.51) MAPTTHRBGSK3BLMNAATM
SCHEMBL17536177 0.76 MAPT (0.41) MAPTTHRBGSK3BLMNAATM
SCHEMBL17536178 0.76 MAPT (0.41) MAPTTHRBGSK3BLMNAATM
SCHEMBL28511333 0.75 POLB (0.46) MAPTTHRBLMNAGRIK1CYP1A2

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
CN-107001839-B Particles for electrophoretic displays 默克专利股份有限公司 2021-01-15 — — CN disclosed
CN-107108818-B Particles for electrophoretic displays 默克专利股份有限公司 2021-01-01 — — CN disclosed
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