SCHEMBL22129276

SCHEMBL22129276

COCC(=O)c1ccc(C=O)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.51
TRIM24 O15164 1/20 0.51
TRIM33 Q9UPN9 1/20 0.51
ERN1 O75460 9/20 0.43
EPHX2 P34913 1/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
XDH P47989 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL28576406 0.78 PTPN1 (0.50) TYRTRIM24TRIM33ERN1
SCHEMBL1485297 0.78 XDH (0.65) TYRTRIM24TRIM33ERN1MAPT
SCHEMBL11585526 0.75 TYR (0.52) TYRTRIM24TRIM33ERN1MAPT
SCHEMBL998950 0.74 MAPT (0.39) EPHX2MAPTTSHRCA1CA2
SCHEMBL4290202 0.74 CA12 (0.68) TYRTRIM24TRIM33MAPTCA1
SCHEMBL31582154 0.73 ALDH1A1 (0.49) EPHX2MAPTTSHRCA1CA2
SCHEMBL16360980 0.73 MEN1 (0.66) MAPTTSHR
SCHEMBL996657 0.73 CA12 (0.41) EPHX2MAPTTSHRCA1CA2
SCHEMBL850871 0.73 MAPT (0.59) TYRTRIM24TRIM33ERN1MAPT
SCHEMBL4613376 0.72 KDM4C (0.57) MAPTTSHRCA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111349152-B Method for preparing thymalfasin 深圳翰宇药业股份有限公司 2022-04-05 CN disclosed
CN-111349152-A Method for preparing thymalfasin 深圳翰宇药业股份有限公司 2020-06-30 CN disclosed
WO-2020124975-A1 METHOD FOR PREPARING THYMALFASIN 深圳翰宇药业股份有限公司 2020-06-25 WO disclosed