SCHEMBL9746804

SCHEMBL9746804

C=C(C(=O)OCC)C(Br)(Br)CBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TSHR P16473 1/20 0.42
TRPA1 O75762 1/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.35
GLO1 Q04760 1/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CASP1 P29466 1/20 0.34
GPR35 Q9HC97 1/20 0.33
ALOX15 P16050 1/20 0.33
CES2 O00748 1/20 0.33
ACHE P22303 1/20 0.33
CES1 P23141 1/20 0.33
MGAM O43451 1/20 0.33

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
SCHEMBL11719789 0.82 ALDH1A1 (0.44) ALDH1A1TSHRTRPA1MAPTNPSR1
SCHEMBL9746132 0.81 ALDH1A1 (0.47) ALDH1A1TSHRTRPA1MAPTNPSR1
SCHEMBL9745097 0.81 ALDH1A1 (0.47) ALDH1A1TSHRTRPA1MAPTNPSR1
SCHEMBL9746150 0.79 ALDH1A1 (0.41) ALDH1A1EGLN1
SCHEMBL9745980 0.74 ADRA1A (0.35) TSHRGAA
SCHEMBL1896769 0.74 ALDH1A1 (0.48) ALDH1A1TSHRTRPA1MAPTNPSR1
SCHEMBL11477409 0.74 ALDH1A1 (0.48) ALDH1A1TSHRTRPA1MAPTNPSR1
SCHEMBL8744223 0.72 ALDH1A1 (0.47) ALDH1A1TSHRTRPA1MAPTNPSR1
SCHEMBL304056 0.72 ALDH1A1 (0.47) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL8582053 0.72 ALDH1A1 (0.47) ALDH1A1TSHRTRPA1MAPTNPSR1

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-5100762-A Radiation-sensitive polymer and radiation-sensitive composition containing the same MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1992-03-31 US disclosed