SCHEMBL8813261

SCHEMBL8813261

COC(=O)CCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC(=O)OC

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.70
LMNA P02545 3/20 0.59
ALDH1A1 P00352 2/20 0.59
KMT2A Q03164 3/20 0.48
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
EPHX2 P34913 2/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
POLA1 P09884 1/20 0.44
HPGD P15428 1/20 0.43
CA12 O43570 1/20 0.43
CA14 Q9ULX7 1/20 0.43
DGKA P23743 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL10958389 1.00 TSHR (0.70) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL29195604 0.97 TSHR (0.67) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL28971642 0.95 TSHR (0.70) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL494299 0.92 TSHR (0.82) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL494114 0.92 TSHR (0.82) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL3503395 0.92 TSHR (0.82) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL3502791 0.92 TSHR (0.82) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL118000 0.92 TSHR (0.82) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL1286873 0.92 TSHR (0.82) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL3501872 0.92 TSHR (0.82) TSHRLMNAALDH1A1KMT2ARECQL

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
US-5691319-A ANTICARCINOGENIC AGENTS SANKYO COMPANY, LIMITED (JP) 1997-11-25 US disclosed
EP-0536936-B1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use SANKYO CO (JP) 1996-08-14 EP disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 EP disclosed