SCHEMBL9346162

SCHEMBL9346162

CC(CO)(CO)CCCCCCO

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.33
FFAR1 O14842 2/20 0.32
CPT2 P23786 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL10928501 0.97 CYP4F2 (0.39) CYP4F2CYP4A11LMNAALDH1A1HSD17B10
SCHEMBL12191374 0.94 SMN1; SMN2 (0.40) CYP4F2CYP4A11LMNAALDH1A1HSD17B10
SCHEMBL9345919 0.85 LMNA (0.46) CYP4F2CYP4A11LMNAALDH1A1HSD17B10
1,5-Pentanediol SCHEMBL5982163 0.85 LMNA (0.47) CYP4F2CYP4A11LMNAALDH1A1HSD17B10
SCHEMBL28309843 0.85 LMNA (0.47) CYP4F2CYP4A11LMNAALDH1A1HSD17B10
SCHEMBL10557078 0.84 CYP4F2 (0.39) CYP4F2CYP4A11LMNAALDH1A1HSD17B10
SCHEMBL14978154 0.82 SMN1; SMN2 (0.44) CYP4F2CYP4A11LMNAALDH1A1HSD17B10
1,4-Butanediol SCHEMBL1318678 0.82 SMN1; SMN2 (0.44) CYP4F2CYP4A11LMNAALDH1A1HSD17B10
SCHEMBL13130050 0.82 ALDH1A1 (0.33) ALDH1A1
Methacrylic Acid SCHEMBL10400689 0.82 CYP4F2 (0.40) CYP4F2CYP4A11TDP1FFAR1CPT2

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-0338540-B1 Trimethylolheptanes and use thereof KURARAY CO (JP) 1994-08-10 EP claimed
US-4935488-A ALKYD RESINS, POLYESTERS, FILMS, COATINGS; PHOTOPOLYMERIZABLE UNSATURATED ESTERS; FAST CURING Kurary Company, Ltd. (JP) 1990-06-19 US claimed
EP-0338540-A2 Trimethylolheptanes and use thereof KURARAY CO., LTD. (JP) 1989-10-25 EP claimed
EP-0338540-B1 Trimethylolheptanes and use thereof KURARAY CO (JP) 1994-08-10 EP disclosed
US-4935488-A ALKYD RESINS, POLYESTERS, FILMS, COATINGS; PHOTOPOLYMERIZABLE UNSATURATED ESTERS; FAST CURING Kurary Company, Ltd. (JP) 1990-06-19 US disclosed
EP-0338540-A2 Trimethylolheptanes and use thereof KURARAY CO., LTD. (JP) 1989-10-25 EP disclosed