SCHEMBL8922170

SCHEMBL8922170

CCOP(=O)(OCC)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
TSHR P16473 1/20 0.50
CNR2 P34972 4/20 0.46
LTA4H P09960 1/20 0.46
EPHX2 P34913 1/20 0.46
NR3C1 P04150 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL358474 0.79 MEN1 (0.59) KMT2AMEN1CA12CA1CA2
SCHEMBL6829825 0.77 TDP1 (0.49) TSHRLTA4HEPHX2KMT2AMEN1
SCHEMBL20710698 0.77 LTA4H (0.52) TSHRLTA4HEPHX2KMT2AMEN1
SCHEMBL31482559 0.76 MEN1 (0.49) LTA4HEPHX2KMT2AMEN1CA12
Triphenylphosphine Oxide SCHEMBL8846399 0.76 MEN1 (0.60) LTA4HEPHX2KMT2AMEN1CA12
SCHEMBL2960872 0.75 CYP2C19 (0.78) CYP2C19TSHRCNR2NR3C1KMT2A
SCHEMBL6794322 0.75 LTA4H (0.67) CYP2C19LTA4HEPHX2KMT2AMEN1
SCHEMBL13541379 0.75 HRH3 (0.47) TSHRLTA4HEPHX2KMT2AMEN1
Phosphoric Acid SCHEMBL28091785 0.74 MEN1 (0.58) KMT2AMEN1CA12CA1CA2
SCHEMBL7144174 0.74 NPY1R (0.41) LTA4HEPHX2KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670493-A ANGIOGENESIS INHIBITORS ADIR ET COMPAGNIE (FR) 1997-09-23 US disclosed