SCHEMBL11280468

SCHEMBL11280468

O=C(CCOc1ccc2[nH]c(=O)ccc2c1)OC1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 10/20 0.63
PDE3A Q14432 10/20 0.63
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 2/20 0.63
HPGD P15428 2/20 0.63
MEN1 O00255 1/20 0.63
PDE5A O76074 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
TSHR P16473 1/20 0.63
PTAFR P25105 1/20 0.63
CYP2C19 P33261 1/20 0.63
BLM P54132 1/20 0.63
PDE1A P54750 1/20 0.63
PDE1B Q01064 1/20 0.63
PMP22 Q01453 1/20 0.63
KMT2A Q03164 1/20 0.63
PDE1C Q14123 1/20 0.63
HSD17B10 Q99714 1/20 0.63
FLT3 P36888 2/20 0.42

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
SCHEMBL11322854 0.79 PDE3B (0.81) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL11324828 0.79 PDE3B (0.81) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL11324806 0.79 PDE3B (0.66) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL11325432 0.79 PDE3B (0.71) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL11276302 0.79 PDE3B (0.56) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL11317158 0.78 PDE3B (1.00) PDE3BPDE3AKDM4EALDH1A1HPGD
Cilostamide SCHEMBL49742 0.78 PDE3B (1.00) PDE3BPDE3AKDM4EALDH1A1HPGD
Cilostamide SCHEMBL29491047 0.78 PDE3B (1.00) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL6250268 0.77 PDE3B (0.77) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL11310341 0.76 PDE3B (0.79) PDE3BPDE3AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4313947-A TREATMENT OF BLOOD DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1982-02-02 US disclosed
US-4216220-A Platelet aggregation inhibiting 2-oxyindoles, their compositions and method of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1980-08-05 US disclosed
US-4070470-A BENCYCLOAMIDE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JA) 1978-01-24 US disclosed