SCHEMBL28117434

SCHEMBL28117434

COCCCOC(=O)c1ccccc1C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.69
TDP1 Q9NUW8 4/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
MAPK1 P28482 3/20 0.60
CYP3A4 P08684 2/20 0.60
TP53 P04637 1/20 0.60
ALDH1A1 P00352 8/20 0.58
LMNA P02545 1/20 0.58
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
ALOX15 P16050 1/20 0.47
KMT2A Q03164 1/20 0.46
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46

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
SCHEMBL9581139 0.97 TSHR (0.69) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL27446307 0.91 TSHR (0.67) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL186286 0.90 TSHR (0.86) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL9581141 0.90 TSHR (0.79) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL5709795 0.88 TSHR (0.70) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL1395556 0.86 ALDH1A1 (0.71) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL28188145 0.86 ALDH1A1 (0.71) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL1286848 0.85 TSHR (0.77) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL31541130 0.85 TSHR (0.77) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL29649180 0.85 TSHR (0.86) TSHRTDP1L3MBTL1MAPK1CYP3A4

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-106380729-B Novel PVC heat stabilizer 邵卫东 2019-01-29 CN disclosed
CN-106380729-A Novel PVC heat stablizer 邵卫东 2017-02-08 CN disclosed