SCHEMBL9777751

SCHEMBL9777751

CCOC(CC)(OC(=O)CC(C)=O)OC(=O)CC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL9752076 0.84 MGAM (0.33) MGAMGAASIMGAM2
SCHEMBL15271624 0.76 MGAM (0.39) MGAMGAASIMGAM2THRB
SCHEMBL16166684 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL10612910 0.73 DGKA (0.36) GAAALDH1A1LMNAHSD17B10
SCHEMBL1137553 0.73 MCL1 (0.34) ALDH1A1
SCHEMBL2059152 0.72 GAA (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL31515323 0.72 GAA (0.43) MGAMGAASIMGAM2
SCHEMBL9296815 0.72 TSHR (0.30)
SCHEMBL21952221 0.69 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL30534815 0.69 KDM4E (0.35) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4996348-A Photocrosslinking agents, UV absorbers and textile finishing agents CIBA-GEIGY CORPORATION (US) 1991-02-26 US disclosed
US-4746354-A PRE- AND POSTEMERGENCE BAYER AKTIENGESELLSCHAFT (DE) 1988-05-24 US disclosed