SCHEMBL11228701

SCHEMBL11228701

CCOC(=O)C(C(C)=O)C(=O)SCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.33
CYP2D6 P10635 2/20 0.33
ALOX15 P16050 2/20 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
MAPT P10636 1/20 0.32
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CPB2 Q96IY4 1/20 0.32
GLO1 Q04760 1/20 0.31
CYP1A2 P05177 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 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
SCHEMBL123766 0.80 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10GAACYP2D6
SCHEMBL26302 0.80 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10GAACYP2D6
SCHEMBL28190143 0.78 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10GAACYP2D6
SCHEMBL28266492 0.76 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10GAACYP2D6
SCHEMBL29866763 0.76 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10GAACYP2D6
SCHEMBL9416746 0.75 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10GAACYP2D6
SCHEMBL1012864 0.74 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10GAACYP2D6
SCHEMBL14375225 0.72 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL11580142 0.72 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10GAACYP2D6
SCHEMBL14375227 0.72 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10GAACYP2D6

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-4358606-A Esters of phenalkyloxycarbonylamino acids ZOECON CORPORATION (US) 1982-11-09 US disclosed