SCHEMBL29951305

SCHEMBL29951305

CNc1nccc(C=O)c1OC1CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
POLB P06746 1/20 0.34
LRRK2 Q5S007 4/20 0.33
SCD O00767 4/20 0.32
PDE4B Q07343 1/20 0.32
GSK3B P49841 1/20 0.32
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
CSF1R P07333 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
SCHEMBL29954852 0.78 SCD (0.43) POLBLRRK2SCDTYK2
SCHEMBL29955612 0.77 CCR1 (0.37) CCR1CCR5CCR8POLB
SCHEMBL29952864 0.77 POLB (0.36) POLBLRRK2SCD
SCHEMBL29951693 0.73 KMO (0.36) CCR1CCR5CCR8POLBSCD
SCHEMBL29951320 0.73 SCD (0.32) POLBLRRK2SCDPDE4BCSF1R
SCHEMBL29957690 0.73 LOX (0.38) CCR1CCR5CCR8POLB
SCHEMBL29954655 0.73 CA1 (0.39) POLB
SCHEMBL29953450 0.72 PARP10 (0.38) CCR1CCR5CCR8POLBSCD
SCHEMBL29955258 0.71 POLB (0.36) POLBCSF1R
SCHEMBL19641310 0.69 CCR1 (0.41) CCR1CCR5CCR8

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