SCHEMBL27313804

SCHEMBL27313804

COC(=O)CC(C)C.COC(=O)CC(C)C.SS

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
HSD17B10 Q99714 1/20 0.48
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
CA2 P00918 1/20 0.40
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
PTPN1 P18031 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL112862 0.95
Hydrochloric Acid SCHEMBL30578737 0.92
Ammonia Solution, Strong SCHEMBL28151787 0.92
Ethane SCHEMBL15443052 0.92 TSHR (0.48) TSHRHSD17B10MMP1MMP2MMP3
Hydrochloric Acid SCHEMBL29029470 0.90 TSHR (0.46) TSHRHSD17B10MMP1MMP2MMP3
Acetic Acid SCHEMBL29288343 0.87 MMP1 (0.48) TSHRHSD17B10MMP1MMP2MMP3
SCHEMBL28250207 0.83 MMP1 (0.41) TSHRHSD17B10MMP1MMP2MMP3
SCHEMBL12806454 0.81 MMP1 (0.48) TSHRHSD17B10MMP1MMP2MMP3
Methacrylic Acid SCHEMBL28331405 0.80 MMP1 (0.42) TSHRHSD17B10MMP1MMP2MMP3
SCHEMBL8499849 0.79

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-1033227-C Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and their use. SANKYO CO (JP) 1996-11-06 CN disclosed
CN-1072686-A Has Pyrmidine nucleoside derivatives of anti-tumor activity and its production and use SANKYO CO (JP) 1993-06-02 CN disclosed