SCHEMBL29087553

SCHEMBL29087553

O=C(Cc1ccccc1)OC(Cl)Cl

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.67
AKR1B1 P15121 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.55
MAPK1 P28482 2/20 0.55
ALDH1A1 P00352 1/20 0.55
PAM P19021 1/20 0.53
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
HTT P42858 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KLK7 P49862 4/20 0.47
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
ABCC4 O15439 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
PTGS1 P23219 1/20 0.44

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
SCHEMBL5761203 0.85 TSHR (0.73) TSHRAKR1B1L3MBTL1MAPK1ALDH1A1
SCHEMBL27805540 0.83 TSHR (0.61) TSHRAKR1B1L3MBTL1MAPK1ALDH1A1
SCHEMBL27500812 0.81 TDP1 (0.61) L3MBTL1MAPK1ALDH1A1HTTTDP1
SCHEMBL4363372 0.80 TSHR (0.67) TSHRAKR1B1L3MBTL1MAPK1ALDH1A1
SCHEMBL28112015 0.80 TSHR (0.67) TSHRAKR1B1L3MBTL1MAPK1ALDH1A1
SCHEMBL14332763 0.80 TSHR (0.67) TSHRAKR1B1L3MBTL1MAPK1ALDH1A1
SCHEMBL873430 0.80 TSHR (1.00) TSHRAKR1B1L3MBTL1MAPK1ALDH1A1
SCHEMBL27707236 0.79 TSHR (0.61) TSHRAKR1B1L3MBTL1MAPK1ALDH1A1
SCHEMBL8054787 0.78 TSHR (0.65) TSHRAKR1B1L3MBTL1MAPK1ALDH1A1
SCHEMBL4911331 0.78 CRHBP (0.69) TSHRAKR1B1L3MBTL1MAPK1ALDH1A1

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-116606206-A Preparation process of picoxystrobin intermediate methyl o-chloromethyl phenylacetate 河北诚信集团有限公司 2023-08-18 CN disclosed
CN-116606206-A Preparation process of picoxystrobin intermediate methyl o-chloromethyl phenylacetate 河北诚信集团有限公司 2023-08-18 CN disclosed