SCHEMBL7308357

SCHEMBL7308357

CC(C)OC(=O)NC1=Nc2cccc(OCCCC(=O)N(C)Cc3ccccc3)c2CN1CC(=O)OOc1ccccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
ACKR3 P25106 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTGER1 P34995 1/20 0.32
PDE4A P27815 5/20 0.32
PDE4B Q07343 5/20 0.32
PDE4C Q08493 5/20 0.32
PDE4D Q08499 5/20 0.32
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
GLA P06280 1/20 0.30
MAPK1 P28482 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL7320575 0.87 PDE3B (0.34) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7313605 0.85 PDE4A (0.40) PDE3BPDE3AACKR3MEN1KMT2A
SCHEMBL7318128 0.81 PDE3B (0.39) PDE3BPDE3AMEN1KMT2ACYP1A2
SCHEMBL7314675 0.80 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7314666 0.79 PDE3B (0.40) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7309234 0.78 PDE3B (0.35) PDE3BPDE3AACKR3MEN1KMT2A
SCHEMBL7313246 0.77 PDE4A (0.37) PDE3BPDE3AMEN1KMT2APDE4A
SCHEMBL7320482 0.76 NPC1 (0.36) PDE3BPDE3AACKR3MEN1KMT2A
SCHEMBL7312230 0.76 KMT2A (0.39) PDE3BPDE3AMEN1KMT2ACYP1A2
SCHEMBL7303658 0.75 PDE3B (0.39) PDE3BPDE3AACKR3MEN1KMT2A

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-4739056-A ENZYME INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-04-19 US disclosed