SCHEMBL8810587

SCHEMBL8810587

CCCCCC(CC)CS([O])(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 3/20 0.40
TSHR P16473 3/20 0.40
CA2 P00918 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RECQL P46063 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ATM Q13315 1/20 0.35
OPRM1 P35372 1/20 0.34
FDPS P14324 3/20 0.34
NR1I2 O75469 1/20 0.34
GPR84 Q9NQS5 2/20 0.33

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
SCHEMBL1255587 0.93 ALDH1A1 (0.48) ALDH1A1TDP1TP53CYP3A4TSHR
SCHEMBL9623125 0.83 LMNA (0.46) ALDH1A1TDP1LMNATP53CYP3A4
SCHEMBL8810590 0.81 TP53 (0.48) ALDH1A1TDP1LMNATP53CYP3A4
SCHEMBL8813253 0.81 TP53 (0.44) ALDH1A1TDP1LMNATP53CYP3A4
SCHEMBL11386370 0.81 LMNA (0.45) ALDH1A1TDP1LMNATP53CYP3A4
SCHEMBL3460439 0.79 LMNA (0.48) ALDH1A1TDP1LMNATP53CYP3A4
SCHEMBL8437242 0.79 LMNA (0.48) ALDH1A1TDP1LMNATP53CYP3A4
SCHEMBL11342785 0.79 LMNA (0.48) ALDH1A1TDP1LMNATP53CYP3A4
SCHEMBL3459612 0.79 LMNA (0.48) ALDH1A1TDP1LMNATP53CYP3A4
SCHEMBL11503745 0.79 LMNA (0.48) ALDH1A1TDP1LMNATP53CYP3A4

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