SCHEMBL28640689

SCHEMBL28640689

CCCC=C[C]1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.33
TYMP P19971 1/20 0.32

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
SCHEMBL10817793 1.00 CCR5 (0.33) CCR5TYMP
SCHEMBL11292742 0.86 CCR5 (0.40) CCR5
SCHEMBL28477067 0.83 CCR5 (0.48) CCR5
SCHEMBL397147 0.77
SCHEMBL397146 0.77
SCHEMBL6240803 0.70
SCHEMBL2687360 0.69 PIN1 (0.34)
SCHEMBL2554017 0.69 TRPA1 (0.30)
SCHEMBL2554019 0.69 TRPA1 (0.30)
SCHEMBL3946060 0.68 CCR5 (0.30) CCR5TYMP

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
CN-113461634-A Thiazole hydrazide compounds and preparation method and application thereof 贵州大学 2021-10-01 CN disclosed