SCHEMBL2821676

SCHEMBL2821676

CCOC(=O)c1cc(OCC2CC2)cc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
CREBBP Q92793 1/20 0.39
UCHL1 P09936 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
PTGER4 P35408 1/20 0.35
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
HIF1A Q16665 3/20 0.35
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 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
SCHEMBL2826202 0.87 BRD4 (0.47) BRD4BRD2CREBBPUCHL1CA12
SCHEMBL2823123 0.83 BRD4 (0.41) BRD4BRD2CREBBPUCHL1CA12
SCHEMBL17823712 0.83 P2RX3 (0.38) HIF1AF2P2RX3P2RX2
SCHEMBL16237809 0.82 UCHL1 (0.49) BRD4BRD2CREBBPUCHL1CA12
SCHEMBL14746472 0.82 CA12 (0.49) UCHL1CA12CA1CA2CA7
SCHEMBL2822082 0.80 ALDH1A1 (0.42) BRD4BRD2CREBBPUCHL1CA12
SCHEMBL13291141 0.80 BRD4 (0.41) BRD4BRD2CREBBPCA12CA1
SCHEMBL2825580 0.79 UCHL1 (0.40) BRD4BRD2CREBBPUCHL1CA12
SCHEMBL17823765 0.79 GRM5 (0.41) P2RX3P2RX2
SCHEMBL17832666 0.79 GRM5 (0.41) P2RX3P2RX2

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
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