SCHEMBL20006517

SCHEMBL20006517

C=C(C)C(O)Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.56
▸ ESR2 Q92731 4/20 0.56
▸ ADORA3 P0DMS8 1/20 0.39
▸ SLC6A4 P31645 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PSMB1 P20618 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ PSMB2 P49721 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ACHE P22303 1/20 0.34
▸ PPARA Q07869 1/20 0.33
▸ SLC6A3 Q01959 3/20 0.33
▸ BACE1 P56817 2/20 0.32
▸ HSD11B1 P28845 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ SLC6A2 P23975 1/20 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
SCHEMBL12751501 0.82 ADORA3 (0.37) ESR1ESR2ADORA3SLC6A4ALDH1A1
SCHEMBL20006378 0.82 PPARA (0.52) ESR1ESR2ADORA3ALDH1A1L3MBTL1
SCHEMBL13979409 0.79 ESR1 (0.63) ESR1ESR2ADORA3SLC6A4ALDH1A1
SCHEMBL14143026 0.79 ESR1 (0.57) ESR1ESR2ADORA3SLC6A4ALDH1A1
SCHEMBL8760127 0.76 ESR2 (0.71) ESR1ESR2ADORA3SLC6A4ALDH1A1
SCHEMBL7026652 0.76 ESR1 (0.50) ESR1ESR2ADORA3SLC6A4ALDH1A1
SCHEMBL21085480 0.75 ESR1 (0.77) ESR1ESR2ADORA3SLC6A4ALDH1A1
SCHEMBL18773 0.74 ESR2 (1.00) ESR1ESR2ADORA3SLC6A4ALDH1A1
SCHEMBL11154712 0.74 ESR2 (1.00) ESR1ESR2ADORA3SLC6A4ALDH1A1
SCHEMBL13379654 0.74 ESR2 (1.00) ESR1ESR2ADORA3SLC6A4ALDH1A1

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-2738611-B1 Positively chargeable monolayer electrophotographic photosensitive member and image forming apparatus KYOCERA DOCUMENT SOLUTIONS INC (JP) 2018-03-28 — — EP disclosed
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