SCHEMBL2825580

SCHEMBL2825580

CCOC(=O)c1cc(OC(F)(F)F)cc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
POLB P06746 1/20 0.36
LIPE Q05469 2/20 0.36
ELANE P08246 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
CREBBP Q92793 1/20 0.35
HIF1A Q16665 1/20 0.35
CXCR2 P25025 1/20 0.35
F2 P00734 2/20 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
SCHEMBL2826202 0.86 BRD4 (0.47) UCHL1CA12CA1CA2CA7
SCHEMBL16237809 0.86 UCHL1 (0.49) UCHL1CA12CA1CA2CA7
SCHEMBL14746472 0.86 CA12 (0.49) UCHL1CA12CA1CA2CA7
SCHEMBL30963943 0.84 NOTUM (0.41) UCHL1CA12CA1CA2CA7
SCHEMBL2824607 0.84 NOTUM (0.41) UCHL1CA12CA1CA2CA7
SCHEMBL24148755 0.83 DDR1 (0.41) CA1CA2CA9LIPEHIF1A
SCHEMBL1857506 0.83 CA12 (0.44) UCHL1CA12CA1CA2CA7
SCHEMBL2823123 0.82 BRD4 (0.41) UCHL1CA12CA1CA2CA7
SCHEMBL24148490 0.81 LIPE (0.40) CA1CA2CA7CA9LIPE
SCHEMBL30380375 0.81 LIPE (0.40) CA1CA2CA7CA9LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 WO disclosed
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 WO disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed