SCHEMBL9048731

SCHEMBL9048731

COCCOCOCCCCCCCCCCCCCCCCCCCC=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
PRKCA P17252 1/20 0.36
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 1/20 0.32
CA2 P00918 1/20 0.32
EPHX2 P34913 2/20 0.31
LPAR2 Q9HBW0 3/20 0.30
LPAR3 Q9UBY5 3/20 0.30
LPAR1 Q92633 2/20 0.30
ASAH2 Q9NR71 1/20 0.30

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
SCHEMBL8810617 1.00 TSHR (0.41) TSHRFAAHTRPV1PRKCAHIF1A
SCHEMBL8813950 1.00 TSHR (0.41) TSHRFAAHTRPV1PRKCAHIF1A
SCHEMBL8811516 1.00 TSHR (0.41) TSHRFAAHTRPV1PRKCAHIF1A
SCHEMBL8810579 1.00 TSHR (0.41) TSHRFAAHTRPV1PRKCAHIF1A
SCHEMBL8812307 1.00 TSHR (0.41) TSHRFAAHTRPV1PRKCAHIF1A
SCHEMBL9422996 1.00 TSHR (0.41) TSHRFAAHTRPV1PRKCAHIF1A
SCHEMBL12250902 0.92 TSHR (0.44) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL30185811 0.92 TSHR (0.44) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL8813126 0.88 TSHR (0.44) TSHRFAAHTRPV1PRKCAHIF1A
SCHEMBL8814288 0.88 TSHR (0.44) TSHRFAAHTRPV1PRKCAHIF1A

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
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