SCHEMBL8812271

SCHEMBL8812271

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
ACE2 Q9BYF1 1/20 0.44
OPRM1 P35372 1/20 0.41
CA1 P00915 2/20 0.39
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
FDPS P14324 4/20 0.35
CA2 P00918 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
SPHK1 Q9NYA1 1/20 0.34
FFAR1 O14842 1/20 0.34
MAPT P10636 1/20 0.33
FAAH O00519 1/20 0.33
LAP3 P28838 1/20 0.33
LMNA P02545 1/20 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
SCHEMBL8813015 0.93 TP53 (0.39) TP53ACE2OPRM1CA1FDPS
SCHEMBL6729264 0.83 TSHR (0.42) TP53CA1CA2
SCHEMBL2236544 0.82 TP53 (0.47) TP53ACE2OPRM1CA1ADH1B
SCHEMBL27268372 0.82 ACE2 (0.48) TP53ACE2OPRM1CA1ADH1B
SCHEMBL8811531 0.80 ACE2 (0.47) TP53ACE2OPRM1CA1ADH1B
SCHEMBL8812277 0.80 TP53 (0.55) TP53ACE2OPRM1CA1FDPS
SCHEMBL30605502 0.80 TP53 (0.50) TP53ACE2OPRM1CA1CA2
SCHEMBL17832974 0.78 TP53 (0.53) TP53ACE2CA1ADH1BADH1C
SCHEMBL11573155 0.78 TP53 (0.53) TP53ACE2CA1ADH1BADH1C
SCHEMBL8813302 0.78 ACE2 (0.50) TP53ACE2OPRM1CA1ADH1B

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