SCHEMBL8533287

SCHEMBL8533287

C/C=C(/C(=O)O)c1cccc2ccc(Br)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RXFP1 Q9HBX9 3/20 0.43
AKR1C2 P52895 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
PLA2G2D Q9UNK4 1/20 0.38
PLAU P00749 1/20 0.38
MTNR1A P48039 1/20 0.38
PTGS2 P35354 1/20 0.36
AKR1C3 P42330 1/20 0.36
PRNP P04156 1/20 0.36
PPARG P37231 1/20 0.36
NCOR2 Q9Y618 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
SCHEMBL8533283 0.86 AKR1C2 (0.45) MEN1KMT2ARXFP1AKR1C2CYP1A2
SCHEMBL8533289 0.86 AKR1C2 (0.45) MEN1KMT2ARXFP1AKR1C2CYP1A2
SCHEMBL8598937 0.83 PTPN1 (0.49) MEN1KMT2AAKR1C2CYP1A2CYP3A4
SCHEMBL8889580 0.81 AKR1C2 (0.41) AKR1C2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9057192 0.81 MEN1 (0.47) MEN1KMT2ARXFP1NR4A1NR4A2
SCHEMBL11127306 0.80 CYP1A2 (0.60) MEN1KMT2AAKR1C2CYP1A2CYP3A4
SCHEMBL30507856 0.80 CYP1A2 (0.60) MEN1KMT2AAKR1C2CYP1A2CYP3A4
SCHEMBL29792669 0.80 NR4A1 (0.60) MEN1KMT2ARXFP1AKR1C2NR4A1
SCHEMBL11127311 0.80 CYP1A2 (0.60) MEN1KMT2AAKR1C2CYP1A2CYP3A4
SCHEMBL1668812 0.80 NR4A1 (0.60) MEN1KMT2ARXFP1AKR1C2NR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0819115-A1 FUNGICIDAL COMPOUNDS AgrEvo UK Limited (GB) 1998-01-21 EP disclosed
EP-0819111-A1 FUNGICIDAL COMPOUNDS AgrEvo UK Limited (GB) 1998-01-21 EP disclosed
WO-1996029305-A1 FUNGICIDAL COMPOUNDS AGREVO UK LIMITED (GB) 1996-09-26 WO disclosed
WO-1996029301-A1 FUNGICIDAL COMPOUNDS AGREVO UK LIMITED (GB) 1996-09-26 WO disclosed