SCHEMBL3703699

SCHEMBL3703699

CC1(C)OB(c2ccc(C3COC(=O)N3)cc2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 13/20 0.41
LPL P06858 12/20 0.41
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
F11 P03951 2/20 0.35
P4HB P07237 1/20 0.34
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL3703697 1.00 LIPG (0.41) LIPGLPLCA1CA2CA9
SCHEMBL22595340 0.81 LIPG (0.44) LIPGLPLCA1CA2CA9
SCHEMBL2036180 0.80 CA1 (0.41) LIPGLPLCA1CA2CA9
SCHEMBL24853005 0.80 CA1 (0.41) LIPGLPLCA1CA2CA9
SCHEMBL24270032 0.78
SCHEMBL20401812 0.75 LIPG (0.51) LIPGLPLCA1CA2CA9
SCHEMBL15906578 0.75 LIPG (0.47) LIPGLPLCA1CA2CA9
SCHEMBL3700444 0.75 LPL (0.33) LIPGLPL
SCHEMBL28983084 0.75 CYP19A1 (0.41)
SCHEMBL28983087 0.75 CYP19A1 (0.41)

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-2217592-A1 BIPHENYL DERIVATIVES AS MODULATORS OF THE HISTAMINE-H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009058300-A1 BIPHENYL DERIVATIVES AS MODULATORS OF THE HISTAMINE-H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2009-05-07 WO disclosed