SCHEMBL20848427

SCHEMBL20848427

CCOC(=O)C(OCC)C(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC4 P56524 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
GAA P10253 2/20 0.33
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
MMP8 P22894 1/20 0.33
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL167257 0.84 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10HDAC4HDAC6
SCHEMBL2148474 0.80 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL7432060 0.78 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL15282179 0.77 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10HDAC4HDAC6
SCHEMBL9068703 0.77 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10HDAC4HDAC6
SCHEMBL12523450 0.76 THRB (0.35) ALDH1A1LMNAHSD17B10HDAC4HDAC6
SCHEMBL23473944 0.75 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10HDAC4HDAC6
SCHEMBL196658 0.75 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10HDAC4HDAC6
SCHEMBL1770642 0.75 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10HDAC4HDAC6
SCHEMBL3908512 0.74 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10GAAALOX15

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019057720-A1 HERBICIDALLY ACTIVE PYRIDYL-/PYRIMIDYL-PYRIMIDINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-03-28 WO disclosed