SCHEMBL8210432

SCHEMBL8210432

CC(C)[C@H](N)C(=O)CCCCCCCC/C=C\CCCCCCC[C]=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.40
SOAT1 P35610 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 2/20 0.37
TERT O14746 3/20 0.37
PTPN1 P18031 3/20 0.37
MAPT P10636 2/20 0.37
BLM P54132 2/20 0.37
HSD17B10 Q99714 2/20 0.37
FABP4 P15090 2/20 0.37
F7 P08709 2/20 0.37
F3 P13726 2/20 0.37
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37

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
SCHEMBL8212112 0.91 LTA4H (0.37) FAAHKMT2AMEN1PTPN7
SCHEMBL8356433 0.91 LTA4H (0.37) FAAHKMT2AMEN1PTPN7
SCHEMBL8207026 0.91 LTA4H (0.37) FAAHKMT2AMEN1PTPN7
SCHEMBL8206575 0.91 LTA4H (0.37) FAAHKMT2AMEN1PTPN7
SCHEMBL8199703 0.91 LTA4H (0.37) FAAHKMT2AMEN1PTPN7
SCHEMBL8206628 0.91 LTA4H (0.37) FAAHKMT2AMEN1PTPN7
SCHEMBL8207451 0.84 SLC7A5 (0.38)
SCHEMBL15549649 0.74 FAAH (0.57) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL11330189 0.73 FAAH (0.61) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL29246353 0.73 FAAH (0.56) FAAHSOAT1CYP1A2CYP2C19KMT2A

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
EP-0971923-A2 SYNTHESIS OF ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 2000-01-19 EP disclosed
US-5869493-A ANTIVIRALS AGAINST HERPES AND RETROVIRUSES MEDIVIR AB (SE) 1999-02-09 US disclosed
WO-1998034917-A2 SYNTHESIS OF ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 1998-08-13 WO disclosed