SCHEMBL8814746

SCHEMBL8814746

COC=C(C(=O)O)c1ccccc1CSC(=NO)SC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.33
CTBP2 P56545 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
AKR1C2 P52895 2/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C1 Q04828 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HIF1A Q16665 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
SCHEMBL8814742 1.00 IDO1 (0.33) IDO1CTBP2PTGDR2AKR1C2AKR1C3
SCHEMBL9333339 0.88 IDO1 (0.32) IDO1PTGDR2ALDH1A1
SCHEMBL9333334 0.88 IDO1 (0.32) IDO1PTGDR2ALDH1A1
SCHEMBL9333332 0.88 IDO1 (0.32) IDO1PTGDR2ALDH1A1
SCHEMBL8977645 0.85 ALDH1A1 (0.36) IDO1PTGDR2ALDH1A1
SCHEMBL8977652 0.85 ALDH1A1 (0.36) IDO1PTGDR2ALDH1A1
SCHEMBL8977684 0.84 ALDH1A1 (0.35) ALDH1A1
SCHEMBL8977680 0.84 ALDH1A1 (0.35) ALDH1A1
SCHEMBL8977688 0.84 ALDH1A1 (0.35) ALDH1A1
SCHEMBL9846353 0.82 ALDH1A1 (0.35) PTGDR2ALDH1A1LMNAHIF1A

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
JP-9031048-A None JP disclosed
JP-H0931048-A OXYIMINODITHIOCARBAMIC ACID DERIVATIVE AND ITS USE SUMITOMO CHEM CO LTD 1997-02-04 JP disclosed