SCHEMBL8630496

SCHEMBL8630496

O=C(O)C(O)(CCN1CCCCC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.49
CHRM2 P08172 4/20 0.49
CHRM1 P11229 4/20 0.49
KCNH2 Q12809 4/20 0.49
HTR1A P08908 3/20 0.49
OPRM1 P35372 3/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 2/20 0.48
CYP1A2 P05177 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ARG1 P05089 5/20 0.47
ARG2 P78540 4/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
CHRM3 P20309 3/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
SIGMAR1 Q99720 2/20 0.42

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
SCHEMBL8630883 0.98 CYP2D6 (0.47) CYP2D6CHRM2CHRM1KCNH2HTR1A
Lithium Ion SCHEMBL8630884 0.80 ALDH1A1 (0.44) CYP2D6CHRM2CHRM1KCNH2HTR1A
SCHEMBL8633224 0.77 MAPT (0.44) CYP2D6CHRM2CHRM1KCNH2HTR1A
Hydrochloric Acid SCHEMBL11725592 0.76 ARG1 (0.46) CYP2D6CHRM2CHRM1KCNH2HTR1A
SCHEMBL27911982 0.75 ARG1 (0.45) CYP2D6CHRM2CHRM1KCNH2HTR1A
SCHEMBL8630075 0.75 MAPT (0.42) CYP2D6CHRM2CHRM1KCNH2HTR1A
Hydrochloric Acid SCHEMBL27966524 0.73 ARG1 (0.50) CYP2D6CHRM2CHRM1KCNH2HTR1A
SCHEMBL7858744 0.73 CA12 (0.42) CYP2D6CHRM2CHRM1KCNH2HTR1A
SCHEMBL11801318 0.73 ARG1 (0.43) CYP2D6CHRM2CHRM1KCNH2HTR1A
Oxalic Acid SCHEMBL27268471 0.72 SMN1; SMN2 (0.60) MAPK1CYP1A2SMN1; SMN2MAPTALDH1A1

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 5 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
EP-0667850-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS. DOMPE FARMACEUTICI SPA (IT) 1995-08-23 EP disclosed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed