SCHEMBL29956056

SCHEMBL29956056

Cc1nccc(C=O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.45
CCR5 P51681 1/20 0.45
CCR8 P51685 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
AOX1 Q06278 1/20 0.44
ERN1 O75460 9/20 0.43
TRIM24 O15164 2/20 0.43
TRIM33 Q9UPN9 2/20 0.43
TLR2 O60603 1/20 0.40
TLR1 Q15399 1/20 0.40
TLR6 Q9Y2C9 1/20 0.40
ESR1 P03372 1/20 0.37
PTGS1 P23219 1/20 0.37
ACP1 P24666 1/20 0.37
PDE4A P27815 1/20 0.37

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
SCHEMBL3806777 1.00 CCR1 (0.45) CCR1CCR5CCR8ALDH1A1KDM4E
SCHEMBL4796219 0.78 CCR1 (0.54) CCR1CCR5CCR8ALDH1A1KDM4E
SCHEMBL7675195 0.78 CCR1 (0.48) CCR1CCR5CCR8KDM4EMEN1
SCHEMBL28943229 0.77 CCR1 (0.47) CCR1CCR5CCR8KDM4EMEN1
SCHEMBL18052210 0.77 ERN1 (0.48) CCR1CCR5CCR8KDM4EMEN1
SCHEMBL29956628 0.75 CCR1 (0.45) CCR1CCR5CCR8ALDH1A1KDM4E
SCHEMBL29954640 0.75 CCR1 (0.45) CCR1CCR5CCR8ALDH1A1KDM4E
SCHEMBL17984975 0.75 CCR1 (0.45) CCR1CCR5CCR8ALDH1A1KDM4E
SCHEMBL16237972 0.75 CCR1 (0.45) CCR1CCR5CCR8KDM4EMEN1
SCHEMBL29956546 0.75 CCR1 (0.45) CCR1CCR5CCR8ALDH1A1KDM4E

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