SCHEMBL8632607

SCHEMBL8632607

COC(=O)C(O)(CCC1CCCNC1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
CPN1 P15169 1/20 0.40
CPB2 Q96IY4 1/20 0.40
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
EPHX1 P07099 1/20 0.36
ROCK2 O75116 2/20 0.36
PKN2 Q16513 1/20 0.36
SLC6A1 P30531 4/20 0.36
SLC6A11 P48066 3/20 0.36
SLC6A13 Q9NSD5 3/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GABRA5 P31644 2/20 0.35
GABRB2 P47870 2/20 0.35
SLC6A12 P48065 2/20 0.35
GABRA1 P14867 1/20 0.35

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
SCHEMBL8783013 1.00 KMT2A (0.43) KMT2ACPN1CPB2CHRNB2CHRNB4
SCHEMBL8632603 1.00 KMT2A (0.43) KMT2ACPN1CPB2CHRNB2CHRNB4
SCHEMBL27480000 0.87 KMT2A (0.50) KMT2ACPN1CPB2CHRNB2CHRNB4
SCHEMBL8632633 0.84 SLC6A1 (0.36) CPN1CPB2SLC6A1SLC6A11SLC6A13
SCHEMBL8632890 0.84 SLC6A1 (0.36) CPN1CPB2SLC6A1SLC6A11SLC6A13
SCHEMBL8632629 0.84 SLC6A1 (0.36) CPN1CPB2SLC6A1SLC6A11SLC6A13
SCHEMBL8636632 0.79 FDPS (0.34) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8630472 0.79 FDPS (0.34) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8630698 0.79 FDPS (0.34) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8630841 0.75 FDPS (0.39) KMT2ATSHRLMNASMN1; 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 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