SCHEMBL5509922

SCHEMBL5509922

O=C(O)CC(C(=O)O)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
TSHR P16473 2/20 0.48
ALOX15 P16050 1/20 0.48
GABBR2 O75899 3/20 0.47
GABBR1 Q9UBS5 3/20 0.47
LMNA P02545 2/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
NFKB1 P19838 1/20 0.47
DRD3 P35462 1/20 0.47
BLM P54132 1/20 0.47
CYP1A2 P05177 1/20 0.47
THRB P10828 1/20 0.47
GSK3B P49841 2/20 0.47
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46

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
SCHEMBL8512767 0.87 MMP2 (0.46) CYP2C9KMT2AMEN1CYP2D6CYP2C19
SCHEMBL11733617 0.82 SMN1; SMN2 (0.47) CYP2C9KMT2AMEN1CYP2D6CYP2C19
SCHEMBL9785098 0.82 MDM2 (0.59) KMT2AMEN1TSHRALOX15GABBR2
SCHEMBL904487 0.81 HTT (0.51) CYP2C9CYP2C19TSHRALOX15LMNA
SCHEMBL11795787 0.81 CYP2C9 (0.49) CYP2C9KMT2AMEN1CYP2D6CYP2C19
SCHEMBL11235282 0.81 CYP2C9 (0.49) CYP2C9KMT2AMEN1CYP2D6CYP2C19
SCHEMBL2555527 0.79 MMP2 (0.48) CYP2C9KMT2AMEN1CYP2D6CYP2C19
SCHEMBL5055106 0.79 CYP2C9 (0.51) CYP2C9KMT2AMEN1CYP2D6CYP2C19
SCHEMBL9356173 0.79 MMP2 (0.51) CYP2C9CYP2C19TSHRALOX15GSK3B
SCHEMBL9352397 0.78 MMP2 (0.48) CYP2C9CYP2C19TSHRALOX15GSK3B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211373-B2 Photothermographic material FUJIFILM CORPORATION (JP) 2007-05-01 US disclosed
US-20050158675-A9 Photothermographic material FUJIFILM CORPORATION (JP) 2005-07-21 US disclosed
US-20040023174-A1 Photothermographic material OHZEKI TOMOYUKI (JP) 2004-02-05 US disclosed