SCHEMBL8074473

SCHEMBL8074473

CC(=O)OC[C@@H](O)C[C@@H](O)COC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
USP2 O75604 4/20 0.58
CYP3A4 P08684 3/20 0.58
MAPT P10636 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HPGD P15428 1/20 0.58
TP53 P04637 1/20 0.58
MAPK1 P28482 1/20 0.58
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 2/20 0.43
HSD17B10 Q99714 1/20 0.43
RECQL P46063 1/20 0.38
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36

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
SCHEMBL12863645 0.91 ALDH1A1 (0.51) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL15693929 0.90 USP2 (0.50) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL304203 0.89 TDP1 (0.54) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL28563534 0.87 MAPT (0.49) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL16322323 0.87 MAPT (0.49) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL14599372 0.84 USP2 (0.46) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL13625424 0.83 TDP1 (0.46) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL6131221 0.82 TDP1 (0.48) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL33457 0.82
SCHEMBL5821155 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579370-B1 An optically active 1,5-disubstituted-2,4-0-isoproylidene-2,4-dihydroxypentane and a process for producing the same CHISSO CORP (JP) 2000-08-16 EP disclosed
EP-0909757-A2 Process for producing optically active pentanetetraols CHISSO CORPORATION (JP) 1999-04-21 EP disclosed
US-5449793-A Process for producing an optically active 1,5-disubstituted-2,4-O-isopropylidene-2,4-dihydroxypentane CHISSO CORPORATION (JP) 1995-09-12 US disclosed
US-5329018-A Optically active 1-5-disubstituted-2,4-o-isopropylidene-2,4-dihydroxypentane and a process for producing the same CHISSO CORPORATION (JP) 1994-07-12 US disclosed
EP-0579370-A2 An optically active 1,5-disubstituted-2,4-0-isoproylidene-2,4-dihydroxypentane and a process for producing the same CHISSO CORPORATION (JP) 1994-01-19 EP disclosed