SCHEMBL8630652

SCHEMBL8630652

COC(=O)C(O)(CCc1ccccn1)C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CYP2C19 P33261 1/20 0.43
CNR1 P21554 1/20 0.43
HRH1 P35367 1/20 0.42
FDPS P14324 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL27390752 0.93 CYP1A2 (0.50) CYP1A2LMNATDP1HRH3SMN1; SMN2
SCHEMBL8633579 0.85 CYP1A2 (0.51) CYP1A2LMNATDP1SMN1; SMN2ALDH1A1
SCHEMBL8629603 0.84 FDPS (0.51) CYP1A2LMNATDP1SMN1; SMN2ALDH1A1
SCHEMBL27590158 0.81 CYP1A2 (0.53) CYP1A2LMNATDP1HRH3SMN1; SMN2
SCHEMBL27461429 0.81 CYP1A2 (0.55) CYP1A2LMNATDP1HRH3SMN1; SMN2
SCHEMBL7886018 0.76 CYP1A2 (0.50) CYP1A2LMNATDP1SMN1; SMN2ALDH1A1
SCHEMBL2769178 0.74 SMN1; SMN2 (0.52) CYP1A2LMNATDP1HRH3SMN1; SMN2
SCHEMBL7785095 0.74 FDPS (0.46) CYP1A2LMNATDP1SMN1; SMN2ALDH1A1
SCHEMBL27318826 0.73 CYP1A2 (0.42) CYP1A2LMNATDP1HRH3SMN1; SMN2
SCHEMBL8503990 0.73 CYP1A2 (0.70) CYP1A2LMNATDP1HRH3SMN1; 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