SCHEMBL9528767

SCHEMBL9528767

CCCCCCCCC(=O)CN=C(Nc1ccc(C#N)cc1)SC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.44
MGLL Q99685 2/20 0.41
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
RORC P51449 2/20 0.39
CNR2 P34972 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
NAMPT P43490 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
NLRP3 Q96P20 1/20 0.37
ENPP2 Q13822 1/20 0.37
DGAT2 Q96PD7 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
SCHEMBL9530426 0.83 TSHR (0.41) PGRMGLLSAE1UBA2RORC
SCHEMBL9532523 0.83 TSHR (0.41) PGRMGLLSAE1UBA2RORC
SCHEMBL9529430 0.83 TSHR (0.41) PGRMGLLSAE1UBA2RORC
SCHEMBL9529425 0.83 TSHR (0.41) PGRMGLLSAE1UBA2RORC
SCHEMBL10452606 0.83 TSHR (0.41) PGRMGLLSAE1UBA2RORC
SCHEMBL15480393 0.77 PGR (0.65) PGRRORCTHRATHRBNAMPT
SCHEMBL20777973 0.77 PGR (0.65) PGRRORCTHRATHRBNAMPT
SCHEMBL10453701 0.77 ABCC9 (0.46) SAE1UBA2MAPTMEN1ALDH1A1
SCHEMBL9530006 0.74 PGR (0.46) PGRMGLLSAE1UBA2MAPT
SCHEMBL10453694 0.74 MAPT (0.41) SAE1UBA2MAPTMEN1ALDH1A1

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-0299533-B1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1993-04-07 EP disclosed
WO-1989000563-A1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (US) 1989-01-26 WO disclosed