SCHEMBL5795157

SCHEMBL5795157

Oc1c(Br)cccc1CC1CO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.37
ACHE P22303 1/20 0.37
EGFR P00533 6/20 0.35
ERBB2 P04626 5/20 0.35
ALDH1A1 P00352 2/20 0.33
HIF1A Q16665 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
GLA P06280 1/20 0.32
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
ADRA1D P25100 2/20 0.31
HTR2C P28335 2/20 0.31
ADRA1A P35348 2/20 0.31
ADRA1B P35368 2/20 0.31

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
SCHEMBL5437476 0.87 GABRA1 (0.43) ALDH1A1HIF1ATP53CYP3A4TSHR
SCHEMBL29148064 0.81 TAAR1 (0.42) ALDH1A1TSHRGLAHTR2CCYP2A13
SCHEMBL8976185 0.80 ALDH1A1 (0.46) CA2EGFRERBB2ALDH1A1HIF1A
SCHEMBL13116361 0.79 HSP90AA1 (0.45) ACHEEGFRERBB2ALDH1A1HIF1A
SCHEMBL19112118 0.78 ATM (0.41) CA2ACHEEGFRERBB2HIF1A
SCHEMBL3681261 0.75 TSHR (0.44) ALDH1A1HIF1ATP53CYP3A4TSHR
SCHEMBL23628577 0.75 HMGB1 (0.53) CA2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL8220623 0.75 ALDH1A1 (0.54) ALDH1A1HIF1ATP53CYP3A4TSHR
SCHEMBL4959653 0.75 ALDH1A1 (0.54) ALDH1A1HIF1ATP53CYP3A4TSHR
SCHEMBL29826970 0.74 TDP1 (0.45) ALDH1A1HIF1ATP53CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470799-B2 Dihydrobenzofuran derivatives and uses thereof WYETH (US) 2008-12-30 US disclosed
US-7470799-B2 Dihydrobenzofuran derivatives and uses thereof WYETH (US) 2008-12-30 US disclosed
WO-2006000902-A1 DIHYDROBENZOFURAN COMPOUNDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2006-01-05 WO disclosed