SCHEMBL7477238

SCHEMBL7477238

COc1ccc(CNCC(N)=O)cc1OC1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.62
PDE4B Q07343 9/20 0.56
PDE4D Q08499 8/20 0.56
PDE4A P27815 8/20 0.56
PDE4C Q08493 7/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
POLB P06746 1/20 0.52
TPH1 P17752 1/20 0.51
MAPK14 Q16539 1/20 0.50
EPHX2 P34913 1/20 0.49

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
SCHEMBL7088472 0.85 PDE4B (0.65) RECQLPDE4BPDE4DPDE4APDE4C
SCHEMBL7417873 0.83 PDE4B (0.62) RECQLPDE4BPDE4DPDE4APDE4C
SCHEMBL7091205 0.81 PDE4B (0.57) RECQLPDE4BPDE4DPDE4APDE4C
SCHEMBL7324348 0.81 PDE4B (0.56) PDE4BPDE4DPDE4APDE4CMEN1
SCHEMBL13317191 0.80 RECQL (0.61) RECQLPDE4BPDE4DPDE4APDE4C
SCHEMBL7026447 0.80 PDE4B (0.58) RECQLPDE4BPDE4DPDE4APDE4C
SCHEMBL7332617 0.80 PDE4B (0.58) RECQLPDE4BPDE4DPDE4APDE4C
Bicarbonate SCHEMBL7091204 0.80 CSNK2A1 (0.58) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL2371289 0.78 PDE4B (0.60) RECQLPDE4BPDE4DPDE4APDE4C
SCHEMBL8571660 0.78 KMT2A (0.61) RECQLPDE4BPDE4DPDE4APDE4C

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-1998056756-A1 CATECHOL AMINO ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHEIL JEDANG CORPORATION (KR) 1998-12-17 WO claimed
WO-1998056756-A1 CATECHOL AMINO ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHEIL JEDANG CORPORATION (KR) 1998-12-17 WO disclosed