SCHEMBL8998614

SCHEMBL8998614

O=C1CCC(=O)CC(=O)C1.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.41
TRIM24 O15164 2/20 0.38
TRIM33 Q9UPN9 2/20 0.38
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CFTR P13569 1/20 0.30
GOPC Q9HD26 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
SCHEMBL118264 0.96 CYP2A6 (0.43) CYP2A6TRIM24TRIM33ALDH1A1CYP1A2
SCHEMBL9627922 0.96
SCHEMBL9989026 0.91
SCHEMBL73117 0.91
SCHEMBL501836 0.87
SCHEMBL9066344 0.87 TRIM24 (0.50) CYP2A6TRIM24TRIM33ALDH1A1CYP1A2
SCHEMBL8022297 0.87 TRIM24 (0.50) CYP2A6TRIM24TRIM33ALDH1A1CYP1A2
SCHEMBL1431864 0.82
SCHEMBL232122 0.82
SCHEMBL9413765 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0484395-B1 METHOD OF PREVENTING GRAFT REJECTION IN SOLID ORGAN TRANSPLANTATION US HEALTH (US) 1996-09-11 EP claimed
EP-0484395-A4 METHOD OF PREVENTING GRAFT REJECTION IN SOLID ORGAN TRANSPLANTATION US HEALTH (US) 1992-08-12 EP claimed
EP-0484395-A1 METHOD OF PREVENTING GRAFT REJECTION IN SOLID ORGAN TRANSPLANTATION. US HEALTH (US) 1992-05-13 EP claimed
US-5104898-A Administering succinylacetone(4,6-dioxoheptanoic acid) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1992-04-14 US claimed
WO-1991001726-A1 METHOD OF PREVENTING GRAFT REJECTION IN SOLID ORGAN TRANSPLANTATION THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, UNITED STATES DEPARTMENT OF COMMERCE (US) 1991-02-21 WO claimed
EP-0484395-B1 METHOD OF PREVENTING GRAFT REJECTION IN SOLID ORGAN TRANSPLANTATION US HEALTH (US) 1996-09-11 EP disclosed