SCHEMBL8668615

SCHEMBL8668615

[CH2]CCCC(O)CCCCCO

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.39
PSMD14 O00487 2/20 0.33
PLA2G1B P04054 2/20 0.33
MMP2 P08253 2/20 0.33
ATG4B Q9Y4P1 2/20 0.33
HSP90AA1 P07900 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
RAD52 P43351 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
FFAR1 O14842 1/20 0.33
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL6135196 0.97 PTPN1 (0.36) PTPN1PSMD14PLA2G1BMMP2ATG4B
SCHEMBL27827735 0.97 PTPN1 (0.36) PTPN1PSMD14PLA2G1BMMP2ATG4B
SCHEMBL23362295 0.95 PTPN1 (0.39) PTPN1PSMD14PLA2G1BMMP2ATG4B
SCHEMBL28455936 0.95 PTPN1 (0.39) PTPN1PSMD14PLA2G1BMMP2ATG4B
SCHEMBL19259364 0.95 PTPN1 (0.39) PTPN1PSMD14PLA2G1BMMP2ATG4B
SCHEMBL6358420 0.90 PTPN1 (0.37) PTPN1
SCHEMBL23808213 0.87 PTPN1 (0.45) PTPN1FFAR4ACACBACACAFFAR1
SCHEMBL23772188 0.87 PTPN1 (0.45) PTPN1FFAR4ACACBACACAFFAR1
SCHEMBL22749505 0.87 PTPN1 (0.45) PTPN1FFAR4ACACBACACAFFAR1
SCHEMBL21965266 0.87 PTPN1 (0.45) PTPN1FFAR4ACACBACACAFFAR1

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
US-5811422-A USEFUL FOR TREATING VIRAL INFECTIONS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-22 US disclosed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 US disclosed