SCHEMBL13072042

SCHEMBL13072042

O=C(S)C1=C(C(=O)S)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.35
TRIM33 Q9UPN9 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.30
CASP1 P29466 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
SCHEMBL12491709 0.73 DHODH (0.41) TRIM24TRIM33ALDH1A1TSHRCASP1
SCHEMBL12491707 0.73 DHODH (0.41) TRIM24TRIM33ALDH1A1TSHRCASP1
SCHEMBL5415654 0.73 DHODH (0.41) TRIM24TRIM33ALDH1A1TSHRCASP1
SCHEMBL217840 0.73 DHODH (0.41) TRIM24TRIM33ALDH1A1TSHRCASP1
SCHEMBL17024327 0.73 DHODH (0.41) TRIM24TRIM33ALDH1A1TSHRCASP1
SCHEMBL17024326 0.73 DHODH (0.41) TRIM24TRIM33ALDH1A1TSHRCASP1
Bromide SCHEMBL689744 0.71 DHODH (0.39) TRIM24TRIM33ALDH1A1TSHR
SCHEMBL6740335 0.71 DHODH (0.39) TRIM24TRIM33ALDH1A1TSHR
Hydrochloric Acid SCHEMBL3670412 0.71 DHODH (0.39) TRIM24TRIM33ALDH1A1TSHR
Hydrochloric Acid SCHEMBL689890 0.71 DHODH (0.39) TRIM24TRIM33ALDH1A1TSHR

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-2010134939-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2010-11-25 WO disclosed