SCHEMBL28355752

SCHEMBL28355752

COC1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
GAA P10253 1/20 0.56
LMNA P02545 1/20 0.56
L3MBTL3 Q96JM7 3/20 0.53
ACHE P22303 1/20 0.53
POLB P06746 1/20 0.52
HRH3 Q9Y5N1 2/20 0.52
PARP1 P09874 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 1/20 0.49
MBTD1 Q05BQ5 1/20 0.49
TP53BP1 Q12888 1/20 0.49
L3MBTL4 Q8NA19 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PRMT5 O14744 1/20 0.48
HSD11B1 P28845 1/20 0.48
TSHR P16473 1/20 0.48
GRM3 Q14832 1/20 0.48

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
SCHEMBL27748883 0.89 ACHE (0.68) HPGDGAALMNAL3MBTL3ACHE
SCHEMBL10196662 0.87 KMT2A (0.65) HPGDGAALMNAL3MBTL3POLB
SCHEMBL31003116 0.87 HSD11B1 (0.57) HPGDGAALMNAL3MBTL3ACHE
SCHEMBL19915895 0.86 MGLL (0.56) HPGDGAALMNAL3MBTL3ACHE
SCHEMBL95384 0.86 HPGD (0.52) HPGDGAALMNAL3MBTL3ACHE
SCHEMBL28355937 0.86 EPHX1 (0.54) HPGDGAALMNAL3MBTL3POLB
SCHEMBL25442209 0.83 KMT2A (0.63) HPGDGAALMNAL3MBTL3POLB
SCHEMBL15317691 0.83 MEN1 (0.63) HPGDLMNAPOLBKMT2AMEN1
SCHEMBL20645608 0.83 HPGD (0.50) HPGDGAALMNAL3MBTL3ACHE
SCHEMBL744630 0.83 LMNA (0.49) HPGDGAALMNAL3MBTL3ACHE

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-110759889-B 2-aryl amido substituted thiophene imide ester compound and preparation method and application thereof 中国医学科学院药物研究所 2022-05-20 CN disclosed
CN-110759889-A 2-aryl amido substituted thiophene imide ester compound and preparation method and application thereof 中国医学科学院药物研究所 2020-02-07 CN disclosed