SCHEMBL9966793

SCHEMBL9966793

CN1CCN(CCOc2ccc(Cc3c(OCCCCO)ccc4ccccc34)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 6/20 0.56
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ DRD3 P35462 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ ESRRG P62508 1/20 0.46
▸ OPRK1 P41145 1/20 0.45
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ GCGR P47871 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL9966973 0.97 LTA4H (0.57) LTA4HMEN1KMT2ADRD3HRH3
SCHEMBL9967005 0.94 LTA4H (0.58) LTA4HMEN1KMT2ADRD3HRH3
SCHEMBL9966735 0.92 LTA4H (0.54) LTA4HHRH3OPRK1ESR1ESR2
SCHEMBL9966789 0.91 LTA4H (0.55) LTA4HHRH3OPRK1ESR1ESR2
SCHEMBL9966732 0.91 LTA4H (0.55) LTA4HHRH3OPRK1ESR1ESR2
SCHEMBL9966786 0.90 HRH3 (0.53) LTA4HHRH3OPRK1
SCHEMBL9966739 0.89 LTA4H (0.56) LTA4HESRRGOPRK1ESR1ESR2
SCHEMBL9966961 0.89 LTA4H (0.55) LTA4HHRH3OPRK1ESR1ESR2
SCHEMBL9940088 0.88 LTA4H (0.56) LTA4HHRH3OPRK1ESR1ESR2
SCHEMBL9940306 0.88 LTA4H (0.56) LTA4HHRH3OPRK1ESR1ESR2

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
WO-2012079154-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS DALHOUSIE UNIVERSITY (CA) 2012-06-21 — — WO disclosed
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