SCHEMBL29185065

SCHEMBL29185065

CCOc1nc(OC(C)C)ccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 4/20 0.44
MAPT P10636 1/20 0.42
MCL1 Q07820 1/20 0.41
BAK1 Q16611 1/20 0.41
KDM4E B2RXH2 3/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK8 P45983 2/20 0.38
PRMT5 O14744 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
CAMKK1 Q8N5S9 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
GABRP O00591 1/20 0.36

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
SCHEMBL1312979 0.86 POLB (0.57) POLBTDP1ALDH1A1MAPTMCL1
SCHEMBL19329183 0.77 MCL1 (0.59) POLBTDP1MCL1BAK1PRMT5
SCHEMBL2715201 0.77 L3MBTL1 (0.50) POLBTDP1ALDH1A1MAPTMCL1
SCHEMBL12113233 0.76 MAPK8 (0.50) POLBTDP1ALDH1A1MAPTKDM4E
SCHEMBL1313799 0.76 HSD17B10 (0.49) POLBTDP1ALDH1A1MAPTMCL1
SCHEMBL7405624 0.75 GABRP (0.58) POLBTDP1ALDH1A1MAPTKDM4E
SCHEMBL1680783 0.75 ALDH1A1 (0.49) POLBTDP1ALDH1A1MCL1KDM4E
SCHEMBL17560242 0.75 POLB (0.44) POLBTDP1ALDH1A1MAPTMCL1
SCHEMBL14806689 0.75 POLB (0.44) POLBTDP1ALDH1A1MAPTMCL1
SCHEMBL5119859 0.75 ALDH1A1 (0.49) POLBTDP1ALDH1A1MCL1TSHR

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-109069514-B Antibacterial compound and application thereof 结核病药物开发全球联盟公司 2023-12-29 CN disclosed