SCHEMBL26869713

SCHEMBL26869713

Cc1ccc(NCCCCCC(=O)OC(C)(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 3/20 0.58
MAPT P10636 5/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 4/20 0.52
THRB P10828 1/20 0.48
HCAR3 P49019 2/20 0.48
POLB P06746 2/20 0.47
PRSS1 P07477 2/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PKM P14618 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45

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
SCHEMBL26870037 0.89 MAPT (0.67) MAPTKDM4EALDH1A1HCAR3POLB
SCHEMBL30163794 0.87 KAT2B (0.58) KAT2BMAPTKDM4EALDH1A1THRB
SCHEMBL866327 0.86 MAPT (0.49) KAT2BMAPTKDM4EALDH1A1HCAR3
SCHEMBL28663687 0.85 KAT2B (0.53) KAT2BMAPTKDM4EALDH1A1HCAR3
SCHEMBL13496368 0.83 MAPT (0.48) KAT2BMAPTKDM4EALDH1A1HCAR3
SCHEMBL864704 0.83 MAPT (0.46) KAT2BMAPTKDM4EALDH1A1HCAR3
SCHEMBL23417879 0.81 MAPT (0.55) MAPTKDM4EALDH1A1HCAR3POLB
SCHEMBL30289547 0.81 MAPT (0.44) KAT2BMAPTKDM4EALDH1A1HCAR3
SCHEMBL25343983 0.81 KAT2B (0.56) KAT2BMAPTKDM4EALDH1A1THRB
SCHEMBL864175 0.79 MAPT (0.43) KAT2BMAPTKDM4EALDH1A1HCAR3

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-20230383342-A1 COMPOSITIONS AND METHODS FOR NUCLEIC ACID SEQUENCING ILLUMINA, INC. 2023-11-30 US disclosed