SCHEMBL10928811

SCHEMBL10928811

CC/C=C\C/C=C\C/C=C\CCCCCCCCOCn1cc(F)c(=O)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TK1 P04183 1/20 0.44
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 2/20 0.37
EPAS1 Q99814 2/20 0.37
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
GRIK5 Q16478 1/20 0.36
ALDH1A1 P00352 4/20 0.35
F7 P08709 2/20 0.35
F3 P13726 2/20 0.35
MAPT P10636 2/20 0.35
CYP19A1 P11511 2/20 0.35
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35

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
SCHEMBL11034809 0.85 LMNA (0.48) TK1LMNASMN1; SMN2HIF1AEPAS1
SCHEMBL10719251 0.85 EPHX2 (0.47) LMNAKDM4EALDH1A1MAPTTDP1
SCHEMBL10719255 0.85 EPHX2 (0.47) LMNAKDM4EALDH1A1MAPTTDP1
SCHEMBL11397970 0.82 SMN1; SMN2 (0.51) TK1LMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL10504842 0.82 ALDH1A1 (0.54) TK1LMNAKDM4ECYP1A2GRIA1
SCHEMBL10504844 0.82 ALDH1A1 (0.54) TK1LMNAKDM4ECYP1A2GRIA1
SCHEMBL11399957 0.81 SMN1; SMN2 (0.52) TK1LMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL10506071 0.80 LMNA (0.54) TK1LMNAKDM4ECYP1A2GRIA1
SCHEMBL10506077 0.80 LMNA (0.54) TK1LMNAKDM4ECYP1A2GRIA1
SCHEMBL10752190 0.78 LMNA (0.56) TK1LMNAKDM4ECYP1A2GRIA1

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
JP-60087272-A None JP disclosed
JP-S6087272-A 5-FLUOROURACIL DERIVATIVE AND BLOOD PLATELET COAGULATION INHIBITOR CONTAINING THE SAME TERUMO CORP 1985-05-16 JP disclosed