SCHEMBL18828883

SCHEMBL18828883

Brc1cc(Br)c(-c2cc(-c3ccccc3)c(-c3ccccc3)cc2Br)cc1-c1cc(-c2ccccc2)c(C2=CCCC=C2)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL18828880 0.78 ALDH1A1 (0.54) ALDH1A1MAPK1
SCHEMBL21338024 0.77 ALDH1A1 (0.35) ALDH1A1MAPK1
SCHEMBL734059 0.76 ALDH1A1 (0.56) ALDH1A1MAPK1
SCHEMBL19942981 0.75
SCHEMBL13706531 0.74 CYP2A6 (0.31) ALDH1A1MAPK1
SCHEMBL13645499 0.74 ALOX5 (0.30)
SCHEMBL22994268 0.73 ALDH1A1 (0.40) ALDH1A1MAPK1
SCHEMBL25735639 0.72 LMNA (0.30)
SCHEMBL3807753 0.72 ALDH1A1 (0.36) ALDH1A1
SCHEMBL12403015 0.72 ALDH1A1 (0.52) ALDH1A1MAPK1

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
EP-1867623-B1 TERPHENYLENE DERIVATIVES, TETRAHALOTERPHENYL DERIVATIVES AND PROCESSES FOR THE PRODUCTION OF BOTH TOSOH CORP (JP) 2017-05-10 EP disclosed