SCHEMBL7875503

SCHEMBL7875503

C/C=C(\C)COC(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
TSHR P16473 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
SCHEMBL7875505 1.00 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL14775508 0.87 ALDH1A1 (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2149292 0.77
SCHEMBL3240184 0.77
SCHEMBL14260247 0.77
SCHEMBL6968817 0.76
SCHEMBL6968821 0.76
SCHEMBL9540437 0.75
SCHEMBL5932376 0.75
SCHEMBL5932372 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313320-B1 DESULFONATION, DEBLOCKING, DEPROTECTING; VIRICIDES CHIROTECH TECHNOLOGY, INC. (GB) 2001-11-06 US claimed
US-6313320-B1 DESULFONATION, DEBLOCKING, DEPROTECTING; VIRICIDES CHIROTECH TECHNOLOGY, INC. (GB) 2001-11-06 US disclosed
WO-2000064902-A2 PROCESS FOR THE PREPARATION OF CALANOLIDE PRECURSORS CHIROTECH TECHNOLOGY LIMITED (GB) 2000-11-02 WO disclosed