SCHEMBL3043547

SCHEMBL3043547

C=CCOC(=O)COC1CCC(C(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP19A1 P11511 1/20 0.37
TSHR P16473 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 3/20 0.35
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP3A4 P08684 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL27885694 0.81 ALDH1A1 (0.47) TDP1SMN1; SMN2KDM4ETSHRMEN1
SCHEMBL273853 0.80 ALDH1A1 (0.49) TDP1HTTSMN1; SMN2KDM4ETSHR
SCHEMBL10871408 0.79 MEN1 (0.41) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL580205 0.79 MEN1 (0.41) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL11147394 0.74 MEN1 (0.43) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL6870662 0.72 HSD11B1 (0.36) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL30324749 0.71 ITGB3 (0.39) TDP1APOBEC3AAPOBEC3GHTTSMN1; SMN2
SCHEMBL27652842 0.71 APOBEC3A (0.48) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL352105 0.70 APOBEC3A (0.39) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL1981954 0.70 EPHX2 (0.37) HTTMEN1KMT2AL3MBTL1EPHX2

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
EP-2168941-A1 Novel Glycolate derivatives V. Mane Fils (FR) 2010-03-31 EP disclosed