SCHEMBL29954729

SCHEMBL29954729

Nc1cc(C=O)cc(OC2CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
PARP10 Q53GL7 1/20 0.35
POLB P06746 1/20 0.33
FAAH O00519 1/20 0.33
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAP4K4 O95819 1/20 0.31
HDAC4 P56524 2/20 0.31
EP300 Q09472 2/20 0.31
MEF2D Q14814 2/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 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
SCHEMBL16247030 0.79 HPGD (0.42) PARP10POLBALDH1A1GRIN2DGRIN3B
SCHEMBL29952760 0.78 PARP10 (0.51) PARP10EPHX2MAP4K4
SCHEMBL16397642 0.76 POLB (0.38) PARP10POLBKDM4EALDH1A1HDAC4
SCHEMBL29952314 0.76 UNG (0.42) PARP10FAAHEPHX2ALDH1A1
SCHEMBL14227724 0.76 TLR4 (0.42) PARP10
SCHEMBL18003236 0.75 POLB (0.40) PARP10POLBALDH1A1HDAC4MEF2D
SCHEMBL18409872 0.75 GRIN2D (0.36) PARP10ALDH1A1MAP4K4GRIN2DGRIN3B
SCHEMBL10169109 0.75 CYP19A1 (0.48) POLBALDH1A1
SCHEMBL2692882 0.74 SRC (0.50) POLBALDH1A1HDAC4EP300MEF2D
SCHEMBL29956659 0.74 SRC (0.50) POLBALDH1A1HDAC4EP300MEF2D

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