SCHEMBL18570330

SCHEMBL18570330

CC(C)ONOc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.56
▸ ESR2 Q92731 4/20 0.56
▸ ADORA3 P0DMS8 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ALOX12 P18054 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SLC6A4 P31645 6/20 0.37
▸ SLC6A3 Q01959 6/20 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
▸ ACHE P22303 1/20 0.34
▸ SLC6A2 P23975 3/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ PTGS1 P23219 1/20 0.32

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
SCHEMBL13979409 0.82 ESR1 (0.63) ESR1ESR2ADORA3ALDH1A1LMNA
SCHEMBL8760127 0.76 ESR2 (0.71) ESR1ESR2ADORA3ALDH1A1SLC6A4
SCHEMBL21085480 0.75 ESR1 (0.77) ESR1ESR2ADORA3ALDH1A1LMNA
SCHEMBL2131554 0.74 ESR2 (1.00) ESR1ESR2ADORA3ALDH1A1LMNA
SCHEMBL13379654 0.74 ESR2 (1.00) ESR1ESR2ADORA3ALDH1A1LMNA
SCHEMBL18773 0.74 ESR2 (1.00) ESR1ESR2ADORA3ALDH1A1LMNA
SCHEMBL269110 0.74 ESR2 (1.00) ESR1ESR2ADORA3ALDH1A1LMNA
SCHEMBL13379656 0.74 ESR2 (1.00) ESR1ESR2ADORA3ALDH1A1LMNA
SCHEMBL11154712 0.74 ESR2 (1.00) ESR1ESR2ADORA3ALDH1A1LMNA
SCHEMBL2131572 0.74 ESR2 (1.00) ESR1ESR2ADORA3ALDH1A1LMNA

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-3136175-A1 MULTI-LAYER ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, METHOD FOR PRODUCING THE SAME, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS Kyocera Document Solutions Inc. (JP) 2017-03-01 — — EP disclosed
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