SCHEMBL8634342

SCHEMBL8634342

CCOC(=O)C(Cc1ccc2ccccc2n1)(OC1CCCCO1)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.43
CYSLTR1 Q9Y271 2/20 0.43
HTT P42858 1/20 0.40
ALOX5 P09917 11/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
CYP1A2 P05177 1/20 0.38
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8633126 0.86 ALOX5 (0.44) CYSLTR2CYSLTR1HTTALOX5HDAC6
SCHEMBL8633596 0.81 ALDH1A1 (0.44) MEN1ALDH1A1KMT2A
SCHEMBL8632623 0.73 CYSLTR2 (0.49) CYSLTR2CYSLTR1ALOX5CYP1A2MEN1
SCHEMBL27487179 0.69 ALDH1A1 (0.62) CYSLTR2CYSLTR1HTTCYP1A2MEN1
SCHEMBL3609772 0.68 CYP4F2 (0.41) CYP1A2MEN1ALDH1A1KMT2A
SCHEMBL8827894 0.67 CYSLTR2 (0.45) CYSLTR2CYSLTR1ALOX5HDAC6CYP1A2
SCHEMBL11109111 0.67 MEN1 (0.44) KDM4CMEN1ALDH1A1KMT2A
SCHEMBL8634364 0.67 PTPN1 (0.35) CYP1A2ALDH1A1
SCHEMBL8762918 0.66 MEN1 (0.46) KDM4CMEN1ALDH1A1KMT2A
SCHEMBL8762920 0.66 ALDH1A1 (0.41) MEN1ALDH1A1KMT2A

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