SCHEMBL9035830

SCHEMBL9035830

O=C(CCCCOc1ccc2[nH]c(=O)ccc2c1)N(CCN1CCOCC1)CC1CCCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 12/20 0.55
PDE3A Q14432 12/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
MEN1 O00255 1/20 0.55
PDE5A O76074 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
PTAFR P25105 1/20 0.55
CYP2C19 P33261 1/20 0.55
BLM P54132 1/20 0.55
PDE1A P54750 1/20 0.55
PDE1B Q01064 1/20 0.55
PMP22 Q01453 1/20 0.55
KMT2A Q03164 1/20 0.55
PDE1C Q14123 1/20 0.55
HRH3 Q9Y5N1 2/20 0.46

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
SCHEMBL9035597 0.94 PDE3B (0.58) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL9036046 0.94 PDE3B (0.58) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL9035142 0.91 PDE3B (0.56) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL9035168 0.91 PDE3B (0.56) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL9038129 0.87 PDE3B (0.53) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL9035550 0.87 PDE3B (0.53) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL9043940 0.86 PDE3B (0.57) PDE3BPDE3AKDM4EALDH1A1HPGD
Oxalic Acid SCHEMBL9035547 0.86 PDE3B (0.52) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL9036148 0.86 PDE3B (0.62) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL9035980 0.85 PDE3B (0.60) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 EP disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 US disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 EP disclosed