SCHEMBL20009464

SCHEMBL20009464

COC(=O)CNC/C=C/COC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TET2 Q6N021 1/20 0.34
ALDH1A1 P00352 4/20 0.33
TSHR P16473 3/20 0.33
RECQL P46063 2/20 0.33
ALOX15 P16050 1/20 0.33
LMNA P02545 3/20 0.32
HSD17B10 Q99714 2/20 0.32
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL14904415 0.81 ALDH1A1 (0.39) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL221749 0.77 ALDH1A1 (0.50) GAAALDH1A1TSHRRECQLALOX15
SCHEMBL271027 0.77 ALDH1A1 (0.50) GAAALDH1A1TSHRRECQLALOX15
SCHEMBL74779 0.77 ALDH1A1 (0.50) GAAALDH1A1TSHRRECQLALOX15
SCHEMBL6812393 0.76 TSHR (0.44) MGAMGAASIMGAM2TET2
SCHEMBL6812384 0.76 TSHR (0.44) MGAMGAASIMGAM2TET2
SCHEMBL5953049 0.76 KISS1R (0.39) GAAALDH1A1TSHRALOX15LMNA
SCHEMBL16124303 0.74 ALDH1A1 (0.39) GAAALDH1A1TSHRALOX15LMNA
SCHEMBL28201602 0.74 GAA (0.48) MGAMGAASIMGAM2TET2
SCHEMBL13923798 0.74 ALDH1A1 (0.39) MGAMGAASIMGAM2ALDH1A1

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-2018057290-A1 PREPARATION OF AMINO ACIDS AND AMINO ACID DERIVATIVES MATERIA, INC. (US) 2018-03-29 WO disclosed