SCHEMBL28080073

SCHEMBL28080073

CCOC(=O)CCC(O)c1cc(C)cc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
ALOX15 P16050 1/20 0.39
NLRP3 Q96P20 1/20 0.39
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APP P05067 1/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 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
SCHEMBL27410635 0.81 L3MBTL1 (0.43) L3MBTL1KMT2APOLBCYP4F2CYP4A11
SCHEMBL2512047 0.80 CYP3A4 (0.49) CYP4F2CYP4A11KDM4EALDH1A1HTT
SCHEMBL5129422 0.79 FFAR1 (0.39) KMT2ACYP1A2HTTNPSR1
SCHEMBL4317205 0.79 FFAR1 (0.39) KMT2ACYP1A2HTTNPSR1
SCHEMBL4310166 0.77 HTT (0.40) L3MBTL1KMT2AALOX15CYP1A2HTT
SCHEMBL10686670 0.75 SMN1; SMN2 (0.44) L3MBTL1KMT2APOLBCYP4F2CYP4A11
SCHEMBL16796703 0.75 NLRP3 (0.46) L3MBTL1KMT2APOLBCYP4F2CYP4A11
SCHEMBL28266226 0.74 HTT (0.37) ALDH1A1HTTNPSR1
SCHEMBL4902813 0.73 L3MBTL1 (0.37) L3MBTL1KMT2APOLBCYP4F2CYP4A11
SCHEMBL7361591 0.73 PDCD1 (0.48) ALOX15NLRP3CYP1A2

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-105814048-B Fused tricyclic benzimidizole derivatives as TNF active regulators UCB生物制药私人有限公司 2018-03-27 CN disclosed
CN-105814048-A Fused tricyclic imidazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed