SCHEMBL9619979

SCHEMBL9619979

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 3/20 0.34
TET3 O43151 1/20 0.34
TET1 Q8NFU7 1/20 0.34
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
GRM1 Q13255 1/20 0.33
GRM2 Q14416 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
USP2 O75604 2/20 0.31
CYP3A4 P08684 2/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL9701511 0.76 TDP1 (0.36) TDP1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL9701518 0.76 TDP1 (0.36) TDP1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL8022411 0.73 TET2 (0.48) TET2TET3TET1GRIK1GRIK2
SCHEMBL28359088 0.70 TET2 (0.45) TET2TET3TET1GRIK1GRIK2
SCHEMBL784658 0.69 TDP1 (0.45) TDP1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL4266246 0.69 TDP1 (0.38) TDP1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL9619987 0.67 TET2 (0.33) TET2TET3TET1GRIK1GRIK2
SCHEMBL888659 0.66 ALDH1A1 (0.50) TDP1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL1114512 0.66 TDP1 (0.42) TDP1SMN1; SMN2LMNAALDH1A1
SCHEMBL27536963 0.65 ALOX15 (0.34) TET2TET3TET1GRIK1GRIK2

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
EP-0347381-B1 UNSATURATED BETA-KETOESTERACETALS AND THEIR APPLICATIONS CIBA-GEIGY AG (CH) 1992-02-12 EP disclosed
EP-0347381-A1 Unsaturated beta-ketoesteracetals and their applications CIBA-GEIGY AG (CH) 1989-12-20 EP disclosed