SCHEMBL29952018

SCHEMBL29952018

CCC1=NOC(C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.42
▸ APAF1 O14727 1/20 0.42
▸ GRK2 P25098 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ HPGD P15428 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ CA1 P00915 3/20 0.32
▸ CA2 P00918 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ F10 P00742 1/20 0.31
▸ MIF P14174 2/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL25399850 0.81 POLB (0.42) POLBAPAF1GRK2APOBEC3GHPGD
SCHEMBL5879671 0.75 POLB (0.39) POLBAPAF1GRK2APOBEC3GHPGD
SCHEMBL24518108 0.74 POLB (0.49) POLBAPAF1GRK2APOBEC3GITGB3
SCHEMBL10759359 0.74 — —
SCHEMBL5793246 0.74 — —
SCHEMBL25401501 0.73 POLB (0.48) POLBAPAF1GRK2APOBEC3GITGB3
SCHEMBL12727009 0.71 — —
SCHEMBL9548274 0.69 POLB (0.46) POLBAPAF1GRK2APOBEC3GHPGD
SCHEMBL9512543 0.69 — —
SCHEMBL9971344 0.67 — —

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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