SCHEMBL11315545

SCHEMBL11315545

COC(=O)CC(CC(O)CC(CC(=O)OC)NC(C)=O)NC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRAT P43155 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
TSHR P16473 3/20 0.34
PLA2G2C Q5R387 3/20 0.34
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.32
REN P00797 1/20 0.32
PLA2G2A P14555 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
PTGS2 P35354 1/20 0.31
THPO P40225 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 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
SCHEMBL11311284 0.86 MGAM (0.44) CRATMGAMGAASIMGAM2
SCHEMBL7734523 0.85 ALDH1A1 (0.46) CRATMGAMGAASIMGAM2
SCHEMBL1405643 0.80 CA12 (0.41) CRATMGAMGAASIMGAM2
SCHEMBL23138664 0.74 CRAT (0.35) CRATMGAMGAASIMGAM2
SCHEMBL28243 0.71 TSHR (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL1144293 0.71 MGAM (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL1144274 0.71 MGAM (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL1144297 0.71 MGAM (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL11306619 0.69 MGAM (0.41) MGAMGAASIMGAM2TSHR
SCHEMBL28357259 0.69 MGAM (0.41) CRATMGAMGAASIMGAM2

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-4275192-A ANTINEOPLASTIC AND ANTIVIRAL ACTIVITY G. D. SEARLE & CO. (US) 1981-06-23 US disclosed