SCHEMBL7757694

SCHEMBL7757694

O=C(/C=C/c1cccc(Cl)c1)OC(=O)/C=C/c1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.56
CYP2C9 P11712 1/20 0.56
MAOB P27338 5/20 0.54
MAOA P21397 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
GSR P00390 1/20 0.47
CYP1A1 P04798 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP1B1 Q16678 1/20 0.46
MAPT P10636 1/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45

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
3-Chloro-Cinnamic Acid SCHEMBL7753489 0.86 MAOB (0.60) CYP1A2CYP2C9MAOBMAOAHDAC1
SCHEMBL699004 0.78 CHAT (0.51) CYP1A2CYP2C9MAOBMAOACYP1A1
SCHEMBL699005 0.78 CHAT (0.51) CYP1A2CYP2C9MAOBMAOACYP1A1
SCHEMBL29823557 0.77 MAOB (0.63) CYP1A2CYP2C9MAOBMAOAMEN1
SCHEMBL933091 0.76 CYP1A2 (0.67) CYP1A2CYP2C9MAOBMAOAMEN1
SCHEMBL2500242 0.76 CYP1A2 (0.67) CYP1A2CYP2C9MAOBMAOAMEN1
SCHEMBL9156045 0.76 CYP1A2 (0.47) CYP1A2CYP2C9MAOBMAOACYP1A1
SCHEMBL29538579 0.74 CYP1A2 (0.73) CYP1A2CYP2C9MAOBMAOASMN1; SMN2
SCHEMBL28739899 0.74 CYP1A2 (0.73) CYP1A2CYP2C9MAOBMAOASMN1; SMN2
SCHEMBL31553466 0.73 CYP1A2 (1.00) CYP1A2CYP2C9MAOBMAOAMEN1

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-6289286-B1 Surface regeneration of biosensors and characterization of biomolecules associated therewith BIACORE AB (SE) 2001-09-11 US claimed
EP-1082607-A1 SURFACE REGENERATION OF BIOSENSORS Biacore AB (SE) 2001-03-14 EP claimed
WO-1999063333-A1 SURFACE REGENERATION OF BIOSENSORS BIACORE AB (SE) 1999-12-09 WO claimed