SCHEMBL6736205

SCHEMBL6736205

C/C(=C\Cc1ccccc1)C(=O)O.C/C=C(\C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.47
AKR1C3 P42330 1/20 0.46
MAPT P10636 2/20 0.42
ALDH1A1 P00352 4/20 0.41
MAOB P27338 1/20 0.40
LMNA P02545 2/20 0.39
TOP1 P11387 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
AKR1B1 P15121 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 2/20 0.37
TBXAS1 P24557 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL6736212 1.00 CYP2C9 (0.47) CYP2C9AKR1C3MAPTALDH1A1MAOB
SCHEMBL30528 0.94 CYP2C9 (0.51) CYP2C9AKR1C3MAPTALDH1A1MAOB
SCHEMBL30530 0.94 CYP2C9 (0.51) CYP2C9AKR1C3MAPTALDH1A1MAOB
Iodide SCHEMBL3761279 0.92 CYP2C9 (0.50) CYP2C9AKR1C3MAPTALDH1A1MAOB
SCHEMBL8350660 0.88 ALDH1A1 (0.39) CYP2C9AKR1C3MAPTALDH1A1LMNA
Methacrylic Acid SCHEMBL3739483 0.87 CYP2C9 (0.46) CYP2C9AKR1C3MAPTALDH1A1MAOB
Methacrylic Acid SCHEMBL1082310 0.87 CYP2C9 (0.46) CYP2C9AKR1C3MAPTALDH1A1MAOB
SCHEMBL19097596 0.87 LMNA (0.55) CYP2C9AKR1C3ALDH1A1MAOBLMNA
Methacrylic Acid SCHEMBL1082313 0.87 CYP2C9 (0.46) CYP2C9AKR1C3MAPTALDH1A1MAOB
SCHEMBL19097595 0.87 LMNA (0.55) CYP2C9AKR1C3ALDH1A1MAOBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6682666-B2 ROTATING AND POLYMERIZING FIRST COMPONENT; FILLING LIQUID SECOND COMPONENT AND POLYMERIZING WHILE SUBJECTING FIRST COMPONENT TO DISSOLUTION, DIFFUSION OR RADIAL MIXING SAMSUNG ELECTRONICS CO., LTD. (KR) 2004-01-27 US disclosed
US-20020031318-A1 Object with radially varying refractive index, and producing method and apparatus thereof SAMSUNG ELECTRONICS CO., LTD. (KR) 2002-03-14 US disclosed