SCHEMBL29657694

SCHEMBL29657694

NC(CCCCC(=O)NCCCCCCOCc1ccccc1)NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
EPOR P19235 7/20 0.47
SIRT2 Q8IXJ6 3/20 0.45
MMP3 P08254 2/20 0.43
MMP8 P22894 2/20 0.43
MMP9 P14780 1/20 0.43
MMP1 P03956 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NCOR2 Q9Y618 1/20 0.43

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
SCHEMBL16620624 0.82 TAAR1 (0.57) EPHX2EPORLMNATSHRHDAC3
SCHEMBL29025356 0.77 EPHX2 (0.57) EPHX2MMP3MMP8MMP9LMNA
SCHEMBL15894527 0.76 LMNA (0.53) EPHX2LMNATSHRHDAC3HDAC1
SCHEMBL8099440 0.76 HDAC3 (0.57) EPHX2MMP3MMP8MMP9LMNA
SCHEMBL21069431 0.74 EPHX2 (0.61) EPHX2EPORMMP3MMP8MMP9
SCHEMBL21071040 0.74 EPHX2 (0.61) EPHX2EPORMMP3MMP8MMP9
SCHEMBL17117375 0.73 TAAR1 (0.72) LMNATSHRHDAC3HDAC1HDAC2
SCHEMBL17390846 0.73 EPHX2 (0.59) EPHX2HDAC3HDAC1HDAC2HDAC10
SCHEMBL3288103 0.73 TLR2 (0.54) EPHX2EPORSIRT2MMP3MMP8
SCHEMBL9932903 0.72 SIRT2 (0.59) EPHX2SIRT2

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
EP-3972984-A1 PROCESS FOR THE PREPARATION OF GALNAC PHOSPHORAMIDITE EPIMERS F. Hoffmann-La Roche AG (CH) 2022-03-30 EP disclosed