SCHEMBL28623979

SCHEMBL28623979

CCOC(=O)Cn1cc(C(C)=O)c2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.76
CREBBP Q92793 2/20 0.76
L3MBTL1 Q9Y468 2/20 0.74
POLB P06746 1/20 0.74
ALDH1A1 P00352 6/20 0.70
CYP3A4 P08684 3/20 0.70
CYP2C9 P11712 3/20 0.70
CYP2C19 P33261 3/20 0.70
CYP1A2 P05177 2/20 0.70
NPSR1 Q6W5P4 1/20 0.70
SMN1; SMN2 Q16637 5/20 0.67
TSHR P16473 2/20 0.67
MAPT P10636 3/20 0.64
GAA P10253 1/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
RXFP1 Q9HBX9 2/20 0.59
CYP2D6 P10635 2/20 0.58
HTT P42858 2/20 0.58
STAT3 P40763 1/20 0.58

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
SCHEMBL28616563 0.86 CREBBP (1.00) LMNACREBBPL3MBTL1POLBALDH1A1
SCHEMBL8528645 0.84 ALDH1A1 (0.71) LMNACREBBPL3MBTL1POLBALDH1A1
SCHEMBL18572850 0.84 LMNA (0.55) LMNACREBBPL3MBTL1POLBALDH1A1
SCHEMBL13490809 0.83 ALDH1A1 (0.69) LMNACREBBPL3MBTL1POLBALDH1A1
SCHEMBL19208616 0.83 LMNA (0.54) LMNACREBBPL3MBTL1POLBALDH1A1
SCHEMBL17023509 0.82 GAA (0.58) LMNACREBBPL3MBTL1POLBALDH1A1
SCHEMBL8528642 0.82 ALDH1A1 (0.67) LMNACREBBPL3MBTL1POLBALDH1A1
SCHEMBL14880155 0.82 ALDH1A1 (0.67) LMNACREBBPL3MBTL1POLBALDH1A1
SCHEMBL12479832 0.81 KMT2A (0.73) LMNACREBBPL3MBTL1ALDH1A1CYP3A4
SCHEMBL29781911 0.81 KMT2A (0.73) LMNACREBBPL3MBTL1ALDH1A1CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113321640-B Indole compound and application thereof 中国科学院广州生物医药与健康研究院 2023-06-09 CN disclosed
CN-109111427-B Indole compound and application thereof 中国科学院广州生物医药与健康研究院 2023-06-02 CN disclosed
CN-113321640-A Indole compound and application thereof 中国科学院广州生物医药与健康研究院 2021-08-31 CN disclosed