SCHEMBL7318128

SCHEMBL7318128

COc1ccc(C(=O)NC2=Nc3cccc(OCCCC(=O)N(C)Cc4ccccc4)c3CN2CC(=O)Oc2ccccc2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PDK1 Q15118 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
ADRA1D P25100 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
SCHEMBL7312230 0.90 KMT2A (0.39) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL7314675 0.84 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7314666 0.83 PDE3B (0.40) PDE3BPDE3AALDH1A1PDE4APDE4B
SCHEMBL7308357 0.81 PDE3B (0.36) PDE3BPDE3AKDM4ECYP1A2CYP2C9
SCHEMBL7317951 0.80 PDE3B (0.35) PDE3BPDE3AMAPK1MEN1KMT2A
SCHEMBL7303658 0.78 PDE3B (0.39) PDE3BPDE3AKDM4EMAPK1MEN1
SCHEMBL7314019 0.77 PDE3B (0.38) PDE3BPDE3AKDM4EALDH1A1MAPK1
SCHEMBL7313053 0.77 PDE3B (0.38) PDE3BPDE3AKDM4EMAPK1MEN1
SCHEMBL7309234 0.77 PDE3B (0.35) PDE3BPDE3AKDM4EALDH1A1MAPK1
SCHEMBL7313605 0.77 PDE4A (0.40) PDE3BPDE3AMEN1KMT2APDE4A

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