SCHEMBL6317814

SCHEMBL6317814

CCOC(=O)/C(N)=C(\C)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
GLO1 Q04760 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.36
CES2 O00748 4/20 0.36
ACHE P22303 4/20 0.36
CES1 P23141 4/20 0.36
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 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
HPGD P15428 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33

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
SCHEMBL6317817 1.00 ALOX15 (0.43) ALOX15GLO1ALDH1A1LMNAHSD17B10
SCHEMBL3474110 0.79 ALDH1A1 (0.42) ALOX15GLO1ALDH1A1LMNAHSD17B10
SCHEMBL14536877 0.78 ALOX15 (0.60) ALOX15GLO1ALDH1A1LMNAHSD17B10
SCHEMBL197189 0.76 ALOX15 (0.52) ALOX15GLO1ALDH1A1LMNAHSD17B10
SCHEMBL14999140 0.76 GLO1 (0.44) ALOX15GLO1ALDH1A1LMNAHSD17B10
SCHEMBL9653474 0.76 ALOX15 (0.43) ALOX15GLO1ALDH1A1LMNAHSD17B10
SCHEMBL3158392 0.76 ALOX15 (0.43) ALOX15GLO1ALDH1A1LMNAHSD17B10
SCHEMBL9653470 0.76 ALOX15 (0.43) ALOX15GLO1ALDH1A1LMNAHSD17B10
SCHEMBL3158398 0.76 ALOX15 (0.43) ALOX15GLO1ALDH1A1LMNAHSD17B10
SCHEMBL20456805 0.74 GLO1 (0.38) GLO1ALDH1A1LMNAHSD17B10MAPT

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
US-20050106689-A1 Synthesis of aminocrotonates SOLVAY FLUOR UND DERIVATE GMBH (DE) 2005-05-19 US disclosed