SCHEMBL8637033

SCHEMBL8637033

O=C(O)C(OC1CCCCO1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A3 Q01959 2/20 0.35
ALDH1A1 P00352 1/20 0.30
PTGER4 P35408 1/20 0.30

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
SCHEMBL8632554 0.87 SLC6A3 (0.45) MEN1KMT2ASLC6A3PTGER4
SCHEMBL8632432 0.84 ALDH1A1 (0.37) MEN1KMT2ASLC6A3ALDH1A1
SCHEMBL9388582 0.83 MEN1 (0.35) MEN1KMT2ASLC6A3
SCHEMBL9044354 0.81 MEN1 (0.37) MEN1KMT2ASLC6A3ALDH1A1PTGER4
SCHEMBL4300724 0.81 MEN1 (0.37) MEN1KMT2ASLC6A3ALDH1A1PTGER4
SCHEMBL9213202 0.81 MEN1 (0.37) MEN1KMT2ASLC6A3ALDH1A1PTGER4
SCHEMBL4300719 0.81 MEN1 (0.37) MEN1KMT2ASLC6A3ALDH1A1PTGER4
SCHEMBL4300716 0.81 MEN1 (0.37) MEN1KMT2ASLC6A3ALDH1A1PTGER4
SCHEMBL8636332 0.81 CASP1 (0.34) MEN1KMT2ASLC6A3ALDH1A1
SCHEMBL8632556 0.80 SLC6A3 (0.44) MEN1KMT2ASLC6A3ALDH1A1

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 3 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