SCHEMBL29953450

SCHEMBL29953450

NC(=O)c1nccc(C=O)c1OC1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.38
OPRM1 P35372 1/20 0.35
MAP4K4 O95819 1/20 0.34
SCD O00767 2/20 0.34
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
GSK3B P49841 2/20 0.32
BRAF P15056 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
POLB P06746 1/20 0.31
CHEK2 O96017 1/20 0.31
OPRK1 P41145 1/20 0.31
KCNH2 Q12809 1/20 0.31
KMO O15229 1/20 0.30
PDE4A P27815 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
SCHEMBL29951693 0.87 KMO (0.36) SCDCCR1CCR5CCR8POLB
SCHEMBL29954852 0.82 SCD (0.43) SCDBRAFPOLB
SCHEMBL29955612 0.79 CCR1 (0.37) CCR1CCR5CCR8POLBKCNH2
SCHEMBL29955574 0.77 MKNK1 (0.38) PARP10OPRM1MAP4K4SCDMKNK1
SCHEMBL29957690 0.75 LOX (0.38) CCR1CCR5CCR8POLB
SCHEMBL29955125 0.74 PARP10 (0.41) PARP10MAP4K4SCDMKNK1MKNK2
SCHEMBL29952660 0.74 PARP10 (0.40) PARP10MKNK1MKNK2OPRK1KCNH2
SCHEMBL29951305 0.72 CCR1 (0.34) SCDCCR1CCR5CCR8GSK3B
SCHEMBL29953303 0.71 MAP4K4 (0.42) PARP10MAP4K4MKNK1MKNK2SENP8
SCHEMBL29956486 0.70 MAP4K4 (0.40) PARP10MAP4K4MKNK1MKNK2PDE4D

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