SCHEMBL7759913

SCHEMBL7759913

COC(=O)C(C)(OC(=O)Oc1ccccc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.45
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KCNN4 O15554 1/20 0.41
PGR P06401 2/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL7760774 0.91 KCNN4 (0.50) ELANEL3MBTL1MAPTTDP1ALDH1A1
SCHEMBL7761165 0.89 ALDH1A1 (0.45) SMN1; SMN2MAPTALDH1A1RAB9AMEN1
SCHEMBL7759387 0.86 NPC1 (0.47) ELANEHPGDSMN1; SMN2L3MBTL1MAPT
SCHEMBL3191632 0.81 SMN1; SMN2 (0.51) ELANEHPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL7756209 0.78 SMN1; SMN2 (0.44) HPGDSMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL7756146 0.78 NPC1 (0.49) HPGDSMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL545687 0.77 HPGD (0.58) HPGDSMN1; SMN2PGRRAB9ANPC1
SCHEMBL19846658 0.76 TDP1 (0.49) ELANEHPGDSMN1; SMN2L3MBTL1MAPT
SCHEMBL7759944 0.76 SMN1; SMN2 (0.50) ELANEHPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL13924997 0.75 L3MBTL1 (0.54) ELANESMN1; SMN2L3MBTL1MAPTTDP1

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-1092712-A1 Process for preparing fungicidal oxazolidinones and imidazolinones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-04-18 EP disclosed