SCHEMBL9752190

SCHEMBL9752190

O=C(NC(S)CCCCS)OC(S)CCCCS

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.33
HDAC4 P56524 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC6 Q9UBN7 1/20 0.32
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL8466589 0.98 FOLH1 (0.33) FOLH1HDAC4HDAC1HDAC6TRPV1
SCHEMBL449254 0.93 FOLH1 (0.31) FOLH1
SCHEMBL9249954 0.73 FOLH1 (0.41) FOLH1HDAC4HDAC1HDAC6
SCHEMBL5361491 0.71 LIPE (0.35) HDAC4HDAC1HDAC6
SCHEMBL268056 0.71 ACE (0.31)
Ammonia Solution, Strong SCHEMBL10415819 0.69
SCHEMBL3983465 0.69
SCHEMBL487338 0.69
SCHEMBL10834897 0.69
SCHEMBL4854159 0.69

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991000315-A1 BITUMEN/POLYMER COMPOSITION WITH AN ADHESIVE STRENGTH PRESERVED DURING STORAGE AT HIGH TEMPERATURE AND PROCESS FOR ITS PREPARATION ELF FRANCE (FR) 1991-01-10 WO disclosed