SCHEMBL28186309

SCHEMBL28186309

CCCOC(=O)c1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
LMNA P02545 2/20 0.53
TSHR P16473 7/20 0.51
TDP1 Q9NUW8 3/20 0.51
ESR1 P03372 1/20 0.51
CHRM1 P11229 1/20 0.51
SLC6A2 P23975 1/20 0.51
KDR P35968 1/20 0.51
MAPK1 P28482 3/20 0.50
TP53 P04637 2/20 0.50
CYP3A4 P08684 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.45
PTPN11 Q06124 1/20 0.45

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
SCHEMBL829631 0.95 ALDH1A1 (0.61) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL17713249 0.94 ALDH1A1 (0.54) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL27557411 0.94 ALDH1A1 (0.59) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL9618567 0.91 TSHR (0.64) ALDH1A1LMNATSHRTDP1MAPK1
SCHEMBL30360968 0.91 TSHR (0.64) ALDH1A1LMNATSHRTDP1MAPK1
SCHEMBL4138132 0.91 TSHR (0.61) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL31633208 0.91 TSHR (0.61) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL25219274 0.89 TSHR (0.62) ALDH1A1LMNATSHRTDP1MAPK1
SCHEMBL11576547 0.89 ALDH1A1 (0.54) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL22289847 0.89 TSHR (0.65) ALDH1A1LMNATSHRTDP1ESR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106715567-B Cross-linkable composition comprising polyethylene and its purposes for roational molding 维尔萨利斯股份公司 2019-11-22 CN claimed
CN-109071871-A Composition for hydrolytic stabilization of polyesters 科莱恩塑料和涂料有限公司 2018-12-21 CN claimed
CN-109071871-A Composition for hydrolytic stabilization of polyesters 科莱恩塑料和涂料有限公司 2018-12-21 CN disclosed
CN-109031903-A Toner 佳能株式会社 2018-12-18 CN disclosed
CN-104570632-B Toner CANON K. K. (JP) 2018-08-31 CN disclosed
CN-104570633-B Toner and image forming apparatus 佳能株式会社 2018-08-31 CN disclosed
CN-107428857-A Heat-expandable microsphere and application thereof 松本油脂制药株式会社 2017-12-01 CN disclosed
CN-107108872-A The composition increased for polymeric chain 科莱恩塑料和涂料有限公司 2017-08-29 CN disclosed