SCHEMBL8675831

SCHEMBL8675831

C=C(OCC)C(=O)OCc1ccc(Br)c(Br)c1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 4/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ESR1 P03372 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ESR2 Q92731 1/20 0.33
CA14 Q9ULX7 1/20 0.33
RXFP1 Q9HBX9 2/20 0.32
RAB9A P51151 2/20 0.32

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
SCHEMBL11163982 0.83 TSHR (0.37) ALDH1A1MAPTLMNAKMT2ARAB9A
SCHEMBL7692625 0.79 LMNA (0.38) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL15226845 0.75 MAPT (0.39) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL7749191 0.73 MAPT (0.35) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL5607039 0.72 THRB (0.38) ALDH1A1MAPK1SMN1; SMN2TSHR
SCHEMBL7692628 0.72 CA12 (0.37) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL6660310 0.70 ALDH1A1 (0.55) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL1153546 0.70 MAPT (0.41) ALDH1A1MAPTLMNAKMT2ARAB9A
SCHEMBL94679 0.69 ALDH1A1 (0.54) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL10712256 0.67 GABRA1 (0.56)

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-5741831-A Polymerizable compositions based on thio (meth) acrylate monomers, polymers with a low yellow index obtained from such compositions, and corresponding ophthalmic lenses ESSILOR INTERNATIONAL - COMPAGNIE GENERALE D'OPTIQUE (FR) 1998-04-21 US disclosed