SCHEMBL7693558

SCHEMBL7693558

CCOC(=O)C(C)([O])CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.44
CYP4A11 Q02928 3/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
PKM P14618 3/20 0.41
MMP8 P22894 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX15 P16050 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
SOAT1 P35610 1/20 0.40
THRB P10828 1/20 0.39
CYP1A2 P05177 2/20 0.39
ABCB11 O95342 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL637901 0.79
SCHEMBL9343918 0.78 CYP4F2 (0.42) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL10449730 0.78 CYP4F2 (0.42) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL9343921 0.78 CYP4F2 (0.42) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL6383219 0.77 ALDH1A1 (0.46) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL7512223 0.77 MMP8 (0.52) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL4676451 0.77
SCHEMBL130722 0.77 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL1562023 0.76 ALDH1A1 (0.50) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL1785998 0.76 ALDH1A1 (0.50) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10

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
US-6337305-B1 HERBICIDES FOR AGRICULTURE BASF AKTIENGESELLSCHAFT (DE) 2002-01-08 US disclosed
EP-0968188-A1 SUBSTITUTED 2-BENZ(O)YLPYRIDINES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-01-05 EP disclosed
WO-1998042671-A1 SUBSTITUTED 2-BENZ(O)YLPYRIDINES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed