SCHEMBL11540679

SCHEMBL11540679

Cc1c(Br)c(-c2c(Br)c(C)c(OCCO)c(C)c2Br)c(Br)c(C)c1OCCO

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NR1I2 O75469 1/20 0.33
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
MEN1 O00255 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
SCHEMBL11544464 0.92 GAA (0.34) KMT2AGAAHSD17B10NR1I2
SCHEMBL11544795 0.76 GAA (0.32) KMT2AGAAHSD17B10
SCHEMBL10883935 0.74 ALDH1A1 (0.37) KMT2AGAAHSD17B10NR1I2ALDH1A1
Alcohol SCHEMBL11043389 0.73 ALDH1A1 (0.40) KMT2AGAAHSD17B10NR1I2ALDH1A1
SCHEMBL11540465 0.72 GAA (0.32) KMT2AGAAHSD17B10
SCHEMBL11706751 0.71 KMT2A (0.39) KMT2AGAAHSD17B10NR1I2ALDH1A1
SCHEMBL7088388 0.71
SCHEMBL4815160 0.68 TP53 (0.44) KMT2ANR1I2ALDH1A1RECQL
SCHEMBL11392650 0.68 ALDH1A1 (0.48) KMT2AGAANR1I2ALDH1A1RECQL
SCHEMBL11390140 0.68 SMN1; SMN2 (0.35) KMT2AGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4170711-A FLAME RETARDANTS FOR POLYESTERS, POLYCARBONATES, AND POLYURETHANES GENERAL ELECTRIC COMPANY (US) 1979-10-09 US disclosed