SCHEMBL8811540

SCHEMBL8811540

CCCCCC(C)CCS(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
ACE2 Q9BYF1 1/20 0.50
S1PR2 O95136 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
CA1 P00915 2/20 0.41
OPRM1 P35372 1/20 0.38
FDPS P14324 4/20 0.38
CA2 P00918 1/20 0.37
PRKD3 O94806 1/20 0.37
PRKCG P05129 1/20 0.37
PRKCB P05771 1/20 0.37
PRKCA P17252 1/20 0.37
PRKCH P24723 1/20 0.37
PRKCI P41743 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCZ Q05513 1/20 0.37
PRKCD Q05655 1/20 0.37
PRKD1 Q15139 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
SCHEMBL7700058 0.98 ACE2 (0.53) TP53ACE2S1PR2S1PR1S1PR3
SCHEMBL3426179 0.98 ACE2 (0.53) TP53ACE2S1PR2S1PR1S1PR3
SCHEMBL8813307 0.98 ACE2 (0.53) TP53ACE2S1PR2S1PR1S1PR3
SCHEMBL8811502 0.94 TP53 (0.45) TP53ACE2S1PR2S1PR1S1PR3
SCHEMBL11427268 0.87 EPHX2 (0.52) TP53ACE2EPHX2FFAR1LMNA
SCHEMBL8810924 0.85 TP53 (0.45) TP53ACE2S1PR2S1PR1S1PR3
SCHEMBL5637992 0.85 TSHR (0.44) TP53ACE2S1PR2S1PR1S1PR3
SCHEMBL14915359 0.85 APP (0.42) TP53ACE2S1PR2S1PR1S1PR3
SCHEMBL28530390 0.85 APP (0.42) TP53ACE2S1PR2S1PR1S1PR3
SCHEMBL8810602 0.83 TP53 (0.44) TP53ACE2S1PR2S1PR1S1PR3

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