SCHEMBL7217979

SCHEMBL7217979

C=C(CC=CC(=O)O)C(=O)OCc1ccccc1.C=CC(=O)NC(C)(C)CS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TGM2 P21980 17/20 0.39
HCAR2 Q8TDS4 1/20 0.36
TGM1 P22735 9/20 0.35
F13A1 P00488 8/20 0.35
TGM3 Q08188 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TGM6 O95932 1/20 0.33

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
SCHEMBL7211870 0.86 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19TGM2
SCHEMBL1224592 0.79 HCAR2 (0.55) ALDH1A1HCAR2KMT2A
SCHEMBL7218109 0.76 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19TGM2
SCHEMBL472856 0.74 HCAR2 (0.51) ALDH1A1TGM2HCAR2KMT2A
Maleic Acid SCHEMBL2839159 0.74 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
Fumaric Acid SCHEMBL5315241 0.74 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL8943147 0.73 HCAR2 (0.50) ALDH1A1TGM2HCAR2TGM1F13A1
Methacrylic Acid SCHEMBL9818350 0.73 HCAR2 (0.44) ALDH1A1HCAR2MEN1KMT2A
SCHEMBL9471836 0.73 HCAR2 (0.46) ALDH1A1HCAR2MEN1KMT2A
SCHEMBL15510678 0.73 HCAR2 (0.47) ALDH1A1TGM2HCAR2

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-6548571-B1 Mixing ink, colorant and latex generated by addition poymerization of A-olefin and sodium- or potassium vinylsulfonate XEROX CORPORATION 2003-04-15 US disclosed