SCHEMBL4457760

SCHEMBL4457760

Oc1ccc(C2(c3ccc(O)cc3)CC3CCC4CC(C2)C43)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.42
ESR1 P03372 6/20 0.42
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP2C9 P11712 1/20 0.31
GAA P10253 1/20 0.30
XBP1 P17861 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
SCHEMBL13379659 0.81 ESR2 (0.45) ESR2ESR1MAPTALDH1A1HPGD
SCHEMBL9437447 0.80 ESR2 (0.56) ESR2ESR1MAPTALDH1A1HPGD
SCHEMBL9066583 0.79 ESR2 (0.50) ESR2ESR1CYP2C9
SCHEMBL13379648 0.77 ESR2 (0.54) ESR2ESR1MAPTALDH1A1HPGD
SCHEMBL13379650 0.75 ALOX5AP (0.32) ESR2ESR1MAPTALDH1A1HPGD
SCHEMBL13379801 0.73 ESR2 (0.35) ESR2ESR1MAPTALDH1A1HPGD
SCHEMBL16349984 0.72 ESR2 (0.52) ESR2ESR1MAPTALDH1A1HPGD
SCHEMBL11358751 0.70 ESR2 (0.45) ESR2ESR1MAPTALDH1A1GAA
SCHEMBL2045619 0.69 ESR2 (0.62) ESR2ESR1MAPTALDH1A1HPGD
SCHEMBL8959239 0.69 ESR1 (0.45) ESR2ESR1MAPTALDH1A1HPGD

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-1776145-B1 METHODS OF STERILIZING POLYCARBONATE ARTICLES SABIC INNOVATIVE PLASTICS IP (NL) 2009-03-11 EP claimed