SCHEMBL28294733

SCHEMBL28294733

CCC(=O)ONC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.53
LMNA P02545 5/20 0.49
ALDH1A1 P00352 2/20 0.49
HDAC3 O15379 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
EPHX2 P34913 5/20 0.48
NR1H4 Q96RI1 5/20 0.48
MAPK1 P28482 2/20 0.47
ALOX15 P16050 1/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL28294748 0.83 ACHE (0.50) HDAC1ALDH1A1HDAC3HDAC2HDAC8
SCHEMBL28262932 0.81 ALDH1A1 (0.47) HDAC1LMNAALDH1A1HDAC3HDAC2
SCHEMBL4315070 0.81 ALDH1A1 (0.61) HDAC1ALDH1A1HDAC3HDAC2HDAC8
SCHEMBL28748905 0.80 HDAC3 (0.56) HDAC1ALDH1A1HDAC3HDAC2HDAC8
SCHEMBL9940599 0.80 EPHX2 (0.56) HDAC1LMNAHDAC3HDAC2HDAC8
SCHEMBL28208212 0.78 KDM4E (0.56) HDAC1LMNAALDH1A1HDAC3HDAC2
SCHEMBL16174768 0.77 CA1 (0.49) HDAC1LMNAALDH1A1HDAC3HDAC2
SCHEMBL13527517 0.77 HDAC1 (0.62) HDAC1LMNAALDH1A1HDAC3HDAC8
SCHEMBL418246 0.76 HDAC1 (0.67) HDAC1LMNAALDH1A1HDAC3HDAC2
Hydrochloric Acid SCHEMBL28941790 0.74 HDAC1 (0.64) HDAC1LMNAALDH1A1HDAC3HDAC2

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-109867630-A - 1 receptor modulators of novel glp-1 赛尔基因第二国际有限公司 2019-06-11 CN disclosed
CN-105593225-B novel GLP-1 receptor modulators 赛尔基因第二国际有限公司 2019-04-16 CN disclosed