SCHEMBL5074274

SCHEMBL5074274

CC(C)CCCCCCCCCCCCCc1[nH]cc[n+]1C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.36
EPAS1 Q99814 3/20 0.36
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
FUT7 Q11130 1/20 0.31
LMNA P02545 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
SCHEMBL5283126 1.00 HIF1A (0.36) HIF1AEPAS1HTR1AHTR1DHTR1B
SCHEMBL5291441 1.00 HIF1A (0.36) HIF1AEPAS1HTR1AHTR1DHTR1B
SCHEMBL1427748 1.00 HIF1A (0.36) HIF1AEPAS1HTR1AHTR1DHTR1B
SCHEMBL4446904 1.00 HIF1A (0.36) HIF1AEPAS1HTR1AHTR1DHTR1B
SCHEMBL5302232 1.00 HIF1A (0.36) HIF1AEPAS1HTR1AHTR1DHTR1B
SCHEMBL4578674 1.00 HIF1A (0.36) HIF1AEPAS1HTR1AHTR1DHTR1B
SCHEMBL2774591 1.00 HIF1A (0.36) HIF1AEPAS1HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL1412809 0.98 HIF1A (0.36) HIF1AEPAS1HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL1412734 0.98 HIF1A (0.36) HIF1AEPAS1HTR1AHTR1DHTR1B
Bromide SCHEMBL4021634 0.98 HIF1A (0.36) HIF1AEPAS1HTR1AHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954660-A2 OLEFIN ISOMERIZATION E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-08-13 EP disclosed
WO-2007050491-A2 OLEFIN ISOMERIZATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-05-03 WO disclosed