SCHEMBL436228

SCHEMBL436228

O=CCc1c(-c2ccc(Cl)cc2)noc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.47
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PTGS1 P23219 1/20 0.39
GPBAR1 Q8TDU6 2/20 0.39
CYP1A2 P05177 2/20 0.39

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
SCHEMBL5744413 0.78 GABRA5 (0.49) FFAR4ALDH1A1MAPTMEN1KMT2A
SCHEMBL3641902 0.76 FFAR4 (0.50) FFAR4ALDH1A1GPBAR1PTGS2
SCHEMBL1779686 0.75 BRD4 (0.42) ALDH1A1SMN1; SMN2HPGDKDM4EGAA
SCHEMBL4723502 0.75 ALDH1A1 (0.56) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL3642881 0.74 FFAR4 (0.50) FFAR4MAPTMEN1KMT2APTGS1
SCHEMBL4720867 0.73 FFAR4 (0.42) FFAR4GPBAR1CYP1A2CYP1A1CYP2E1
SCHEMBL4974872 0.72 PTGS2 (0.58) FFAR4ALDH1A1KDM4EGAAMEN1
SCHEMBL11473576 0.72 GAA (0.43) ALDH1A1SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL31526337 0.71 PTGS1 (0.47) FFAR4ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4764778 0.70 ALDH1A1 (0.40) FFAR4ALDH1A1MEN1KMT2ACYP1A2

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
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed