SCHEMBL29953849

SCHEMBL29953849

COc1nccc(C=O)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.42
▸ CCR5 P51681 1/20 0.42
▸ CCR8 P51685 1/20 0.42
▸ ERN1 O75460 6/20 0.37
▸ ALDH1A1 P00352 5/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ BTK Q06187 1/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ TRIM24 O15164 2/20 0.34
▸ TRIM33 Q9UPN9 2/20 0.34
▸ TYR P14679 1/20 0.34
▸ TLR2 O60603 1/20 0.34
▸ TLR1 Q15399 1/20 0.34
▸ TLR6 Q9Y2C9 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL21834603 1.00 CCR1 (0.42) CCR1CCR5CCR8ERN1ALDH1A1
SCHEMBL29936036 0.81 CCR1 (0.42) CCR1CCR5CCR8ERN1ALDH1A1
SCHEMBL1534375 0.81 CA1 (0.46) CCR1CCR5CCR8ERN1ALDH1A1
SCHEMBL23803936 0.81 CCR1 (0.42) CCR1CCR5CCR8ERN1ALDH1A1
SCHEMBL19641190 0.81 CCR1 (0.42) CCR1CCR5CCR8ERN1ALDH1A1
SCHEMBL29587853 0.79 CCR1 (0.41) CCR1CCR5CCR8ERN1ALDH1A1
SCHEMBL22715435 0.79 CCR1 (0.41) CCR1CCR5CCR8ERN1ALDH1A1
SCHEMBL28216990 0.79 CCR1 (0.41) CCR1CCR5CCR8ERN1ALDH1A1
SCHEMBL16054682 0.79 ERN1 (0.49) CCR1CCR5CCR8ERN1KDM4E
SCHEMBL4796219 0.75 CCR1 (0.54) CCR1CCR5CCR8ERN1ALDH1A1

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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