SCHEMBL11065347

SCHEMBL11065347

CN(CC1CCCO1)C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 10/20 0.65
PDE3A Q14432 10/20 0.65
ALDH1A1 P00352 10/20 0.65
HPGD P15428 6/20 0.65
KDM4E B2RXH2 6/20 0.65
HSD17B10 Q99714 6/20 0.65
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
PDE5A O76074 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
TSHR P16473 1/20 0.65
PTAFR P25105 1/20 0.65
CYP2C19 P33261 1/20 0.65
BLM P54132 1/20 0.65
PDE1A P54750 1/20 0.65
PDE1B Q01064 1/20 0.65
PMP22 Q01453 1/20 0.65
PDE1C Q14123 1/20 0.65
NPSR1 Q6W5P4 2/20 0.45

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
SCHEMBL11071229 0.97 PDE3B (0.67) PDE3BPDE3AALDH1A1HPGDKDM4E
SCHEMBL11066631 0.95 PDE3B (0.63) PDE3BPDE3AALDH1A1HPGDKDM4E
SCHEMBL11062114 0.85 PDE3B (0.60) PDE3BPDE3AALDH1A1HPGDKDM4E
SCHEMBL11319201 0.80 PDE3B (0.73) PDE3BPDE3AALDH1A1HPGDKDM4E
Cilostamide SCHEMBL29491047 0.79 PDE3B (1.00) PDE3BPDE3AALDH1A1HPGDKDM4E
Cilostamide SCHEMBL49742 0.79 PDE3B (1.00) PDE3BPDE3AALDH1A1HPGDKDM4E
SCHEMBL11317158 0.79 PDE3B (1.00) PDE3BPDE3AALDH1A1HPGDKDM4E
SCHEMBL11342927 0.78 PDE3B (0.83) PDE3BPDE3AALDH1A1HPGDKDM4E
SCHEMBL9036675 0.78 ALDH1A1 (0.51) PDE3BPDE3AALDH1A1HPGDKDM4E
SCHEMBL11058784 0.78 PDE3B (0.66) PDE3BPDE3AALDH1A1KMT2AMEN1

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-4435404-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 US disclosed