SCHEMBL8629786

SCHEMBL8629786

CCOC(=O)C(CCc1ccccn1)(OC(=O)c1ccccc1)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
MAPT P10636 3/20 0.45
CYP1A2 P05177 2/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
PPARG P37231 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL8634552 0.88 ALDH1A1 (0.46) KDM4EMAPTCYP1A2ALDH1A1CYP2C19
SCHEMBL8634964 0.82 NAMPT (0.46) KDM4EMAPTALDH1A1SMN1; SMN2CHRM5
SCHEMBL8633560 0.79 KMT2A (0.47) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL8633579 0.78 CYP1A2 (0.51) KDM4EMAPTCYP1A2ALDH1A1CYP2C19
SCHEMBL8631399 0.76 LMNA (0.45) MAPTCYP1A2ALDH1A1CYP2C19SMN1; SMN2
SCHEMBL21025180 0.74 CYP1A2 (0.53) KDM4EMAPTCYP1A2ALDH1A1SMN1; SMN2
SCHEMBL8636980 0.74 LMNA (0.43) MAPTCYP1A2ALDH1A1CYP2C19SMN1; SMN2
SCHEMBL5140898 0.71 CYP1A2 (0.48) KDM4ECYP1A2ALDH1A1SMN1; SMN2LMNA
SCHEMBL5862781 0.71 ALDH1A1 (0.47) KDM4EMAPTCYP1A2ALDH1A1SMN1; SMN2
SCHEMBL11168807 0.71 POLB (0.42) KDM4EMAPTCYP1A2ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773465-A Tartronic acids, their acetalic ethers and o-esters DOMPE FARMACEUTICI S.P.A. (IT) 1998-06-30 US disclosed
US-5656656-A Tartronic acids, their acetalic ethers and O-esters DOMPE FARMACEUTICI S.P.A. (IT) 1997-08-12 US disclosed
EP-0667850-B1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE FARMACEUTICI SPA (IT) 1997-05-28 EP disclosed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed