SCHEMBL18079652

SCHEMBL18079652

CCC[C@@H](O)c1cccc(OC2CCCCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 6/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ PDE4A P27815 2/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ LOX P28300 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ MCHR1 Q99705 2/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ PDGFRB P09619 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL18079659 1.00 FFAR4 (0.38) FFAR4BRD4PDE4APDE4BPDE4C
SCHEMBL15134548 0.87 LOX (0.40) FFAR4BRD4LOXLOXL2MCHR1
SCHEMBL15134547 0.87 LOX (0.40) FFAR4BRD4LOXLOXL2MCHR1
SCHEMBL18079661 0.82 CNR2 (0.41) MCHR1
SCHEMBL15215038 0.82 CNR2 (0.41) MCHR1
SCHEMBL15215050 0.82 CNR2 (0.41) MCHR1
SCHEMBL15128995 0.81 FFAR4 (0.37) FFAR4BRD4PDE4APDE4BPDE4C
SCHEMBL15128994 0.81 FFAR4 (0.37) FFAR4BRD4PDE4APDE4BPDE4C
SCHEMBL15129000 0.81 FFAR4 (0.37) FFAR4BRD4PDE4APDE4BPDE4C
SCHEMBL18079658 0.81 CNR2 (0.40) FFAR4MCHR1

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
US-9447078-B2 Substituted heterocyclic compounds for disease treatment ACUCELA INC. (US) 2016-09-20 — — US disclosed
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