SCHEMBL8304110

SCHEMBL8304110

[CH2]c1c(CCCC)cc(-c2ccccc2/C=C2\OC(=O)C=C2O)cc1-c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
APAF1 O14727 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ESR1 P03372 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
STK17B O94768 1/20 0.30

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
SCHEMBL8304618 0.87 KDM4E (0.33) KDM4ESTK17B
SCHEMBL8521755 0.73
SCHEMBL7654362 0.71 BRS3 (0.35)
SCHEMBL7653334 0.70 AGTR1 (0.33)
SCHEMBL8306226 0.70
SCHEMBL8521808 0.69 BRS3 (0.32)
SCHEMBL7654238 0.69 BRS3 (0.36)
SCHEMBL7653043 0.69 BRS3 (0.31)
SCHEMBL7657438 0.68 BRS3 (0.34)
SCHEMBL7658574 0.68 APLNR (0.32)

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-0948485-A1 PESTICIDAL 1-ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1999-10-13 EP disclosed
WO-1998028278-A1 PESTICIDAL 1-ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1998-07-02 WO disclosed