SCHEMBL9639282

SCHEMBL9639282

CCCCCCCCCCC(C)N(C(C)C1=CC(=O)OC1O)S(=O)(=O)OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDCD4 Q53EL6 8/20 0.36
GLS2 Q9UI32 2/20 0.32
NAAA Q02083 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
SCHEMBL9639290 0.85 PDCD4 (0.38) PDCD4
SCHEMBL9672604 0.73 PDCD4 (0.47) PDCD4GLS2NAAA
SCHEMBL14339054 0.73 PDCD4 (0.47) PDCD4GLS2NAAA
SCHEMBL9671381 0.73 PDCD4 (0.47) PDCD4GLS2NAAA
SCHEMBL8985076 0.73 PDCD4 (0.47) PDCD4GLS2NAAA
SCHEMBL7294590 0.73 PDCD4 (0.47) PDCD4GLS2NAAA
Benzene SCHEMBL9328037 0.71 PDCD4 (0.45) PDCD4GLS2
SCHEMBL7301215 0.71 PDCD4 (0.45) PDCD4GLS2NAAA
SCHEMBL7296014 0.71 PDCD4 (0.47) PDCD4
SCHEMBL9746833 0.70 PDCD4 (0.40) PDCD4

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
US-5081261-A Antiinflammatory agents ALLERGAN, INC. (US) 1992-01-14 US disclosed