SCHEMBL14748461

SCHEMBL14748461

CC(C)(C)OC(=O)COc1cc(C#N)ccc1Oc1ccc2c(c1)COB2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 16/20 0.36
AR P10275 1/20 0.36
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
CHRM1 P11229 1/20 0.34
PDE4A P27815 1/20 0.34
ADRA1A P35348 1/20 0.34
PDE1A P54750 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE7A Q13946 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL14748446 0.87 PTGDR2 (0.45) ARUSP2MAPTPPARDPPARA
SCHEMBL14748445 0.85 PDE4B (0.44) ARMAPTPDE4APDE4BPDE4C
SCHEMBL19622265 0.84 AR (0.36) TBXA2RARUSP2MAPTPPARD
SCHEMBL2528061 0.81 PDE4B (0.56) CHRM1PDE4AADRA1APDE1APDE4B
SCHEMBL8005546 0.79 AR (0.59) ARUSP2MAPTPPARDPPARA
SCHEMBL8005549 0.76 AR (0.44) TBXA2RARCHRM1PDE4AADRA1A
SCHEMBL14748365 0.74 CYP11B1 (0.49) AR
SCHEMBL14748470 0.74 PDE4B (0.40) TBXA2RARCHRM1PDE4AADRA1A
SCHEMBL7997146 0.74 PTGDR2 (0.42) PPARDPPARA
SCHEMBL14748449 0.73 PDE4B (0.38) TBXA2RARCHRM1PDE4AADRA1A

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-3246034-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS Anacor Pharmaceuticals, Inc. (US) 2017-11-22 EP disclosed
EP-2564857-A1 Boron-containing small molecules as anti-inflammatory agents Anacor Pharmaceuticals, Inc. (US) 2013-03-06 EP disclosed