SCHEMBL9553540

SCHEMBL9553540

Br/C=C/CCBr.O=C(c1ccc(Br)cc1)c1ccc(OC/C=C/CBr)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 11/20 0.54
PPARD Q03181 2/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SRD5A2 P31213 1/20 0.43
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
MAOB P27338 2/20 0.38

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
SCHEMBL9553546 1.00 LSS (0.54) LSSPPARDMEN1LMNAMAPT
SCHEMBL7685512 0.91 LSS (0.62) LSSPPARDMEN1LMNAMAPT
SCHEMBL7685521 0.91 LSS (0.62) LSSPPARDMEN1LMNAMAPT
SCHEMBL8903155 0.81 LSS (0.48) LSSPPARDMEN1LMNAMAPT
SCHEMBL8903149 0.81 LSS (0.48) LSSPPARDMEN1LMNAMAPT
SCHEMBL9360157 0.79 GAA (0.55) LSSMEN1LMNAMAPTMAPK1
SCHEMBL9360152 0.79 GAA (0.55) LSSMEN1LMNAMAPTMAPK1
SCHEMBL8903933 0.79 PPARD (0.55) LSSPPARDMAPTSRD5A2RXRA
SCHEMBL8045112 0.79 PPARD (0.55) LSSPPARDMAPTSRD5A2RXRA
SCHEMBL8044759 0.78 LSS (0.48) LSSMEN1LMNAMAPTMAPK1

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-5214046-A Synergistic mixtures, inhibitors of sterol biosynthesis HOFFMANN-LA ROCHE INC. (US) 1993-05-25 US disclosed
US-5106878-A Synergistic effects with other fungicides HOFFMANN-LA ROCHE INC. (US) 1992-04-21 US disclosed