SCHEMBL6015503

SCHEMBL6015503

S=C1CCNCCNCCC1=S

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.43
MAPT P10636 1/20 0.43
PDE4A P27815 1/20 0.43
KDR P35968 1/20 0.43
HTR2C P28335 1/20 0.36
CXCR4 P61073 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADCY6 O43306 1/20 0.33
ADCY3 O60266 1/20 0.33
ADCY9 O60503 1/20 0.33
ADCY5 O95622 1/20 0.33
ADCY8 P40145 1/20 0.33
ADCY7 P51828 1/20 0.33
ADCY2 Q08462 1/20 0.33
ADCY1 Q08828 1/20 0.33
ADCY4 Q8NFM4 1/20 0.33
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 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
SCHEMBL907651 0.74
SCHEMBL89269 0.71
SCHEMBL576335 0.66 HIF1A (1.00) HIF1AMAPTPDE4AKDRCXCR4
Piperazine SCHEMBL734764 0.66 HIF1A (1.00) HIF1AMAPTPDE4AKDRCXCR4
SCHEMBL22003 0.66 HIF1A (1.00) HIF1AMAPTPDE4AKDRCXCR4
SCHEMBL2373879 0.66 HIF1A (1.00) HIF1AMAPTPDE4AKDRCXCR4
SCHEMBL577429 0.66 HIF1A (1.00) HIF1AMAPTPDE4AKDRCXCR4
SCHEMBL7052601 0.66 HIF1A (1.00) HIF1AMAPTPDE4AKDRCXCR4
SCHEMBL5033222 0.66 HIF1A (1.00) HIF1AMAPTPDE4AKDRCXCR4
SCHEMBL3999265 0.66 HIF1A (1.00) HIF1AMAPTPDE4AKDRCXCR4

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-1173226-B1 FATTY ACID ANALOGS FOR DIAGNOSIS OF CORONARY ARTERY DISEASE MOLECULAR INSIGHT PHARM INC (US) 2006-08-23 EP disclosed
US-6437103-B1 RADIOIMAGING AGENTS WHICH EXHIBIT HIGH UPTAKE AND RETENTION IN THE MYOCARDIUM; RADIOLABELED FATTY ACID MOLECULE IS AVAILABLE OR FREE OF BONDING AND THUS RETAINS THE TRANSPORT AND BIOCHEMICAL PROPERTIES BIOSTREAM INC. 2002-08-20 US disclosed
EP-1173226-A2 FATTY ACID ANALOGS FOR DIAGNOSIS OF CORONARY ARTERY DISEASE Biostream, Inc. (US) 2002-01-23 EP disclosed
WO-2000061196-A2 FATTY ACID ANALOGS FOR DIAGNOSIS OF CORONARY ARTERY DISEASE BIOSTREAM, INC. (US) 2000-10-19 WO disclosed