SCHEMBL4062544

SCHEMBL4062544

COc1ccc(-c2cccc(C(=O)O)c2C)cc1OCCCCCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.72
PDE4B Q07343 8/20 0.72
PDE4C Q08493 8/20 0.72
PDE4D Q08499 8/20 0.72
PTPN11 Q06124 2/20 0.53
LPAR1 Q92633 4/20 0.49
PTGER1 P34995 1/20 0.47
F2 P00734 1/20 0.44
ELANE P08246 1/20 0.44
CD274 Q9NZQ7 1/20 0.44

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
SCHEMBL8683735 0.90 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DPTPN11
SCHEMBL678960 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPTPN11
SCHEMBL9148374 0.79 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DF2
SCHEMBL7369768 0.79 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPTPN11
SCHEMBL7153812 0.78 PDE4A (0.81) PDE4APDE4BPDE4CPDE4D
SCHEMBL8686439 0.78 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DLPAR1
SCHEMBL7376634 0.76 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL9595433 0.76 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPTGER1
SCHEMBL8684095 0.74 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DLPAR1
SCHEMBL3413842 0.74 CD274 (0.49) PTGER1CD274

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2026813-A2 5 HT RECEPTOR MEDIATED NEUROGENESIS Braincells, Inc. (US) 2009-02-25 EP disclosed
WO-2007134077-A2 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2007-11-22 WO disclosed