SCHEMBL8633568

SCHEMBL8633568

CCOC(=O)C(O)(Cc1cccnc1)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.50
MAPK1 P28482 2/20 0.50
BTN3A1 O00481 1/20 0.50
PDE3A Q14432 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
ALDH1A1 P00352 1/20 0.46
GPR119 Q8TDV5 1/20 0.46
KMT2A Q03164 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
RIPK1 Q13546 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL8634426 0.86 FDPS (0.52) FDPSMAPK1SMN1; SMN2ALDH1A1GPR119
SCHEMBL9668489 0.85 RIPK1 (0.50) FDPSMAPK1BTN3A1PDE3ASMN1; SMN2
SCHEMBL29790231 0.85 RIPK1 (0.50) FDPSMAPK1BTN3A1PDE3ASMN1; SMN2
SCHEMBL27564027 0.83 CYP1A2 (0.57) FDPSMAPK1BTN3A1PDE3ASMN1; SMN2
SCHEMBL5861404 0.83 ALDH1A1 (0.50) FDPSMAPK1BTN3A1PDE3ASMN1; SMN2
SCHEMBL11870071 0.82 RIPK1 (0.47) FDPSMAPK1BTN3A1PDE3ASMN1; SMN2
SCHEMBL8661661 0.81 MMP8 (0.60) SMN1; SMN2HIF1AALDH1A1KMT2APOLB
SCHEMBL7057410 0.81 ALDH1A1 (0.48) FDPSMAPK1BTN3A1PDE3ASMN1; SMN2
SCHEMBL5860273 0.81 CYP1A2 (0.54) FDPSMAPK1BTN3A1PDE3ASMN1; SMN2
SCHEMBL7853031 0.80 FDPS (0.54) FDPSMAPK1BTN3A1PDE3ASMN1; SMN2

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