SCHEMBL8633548

SCHEMBL8633548

CCOC(=O)C(OC(=O)c1ccccc1)(C(=O)OCC)C(N)CCC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.40
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
MMP8 P22894 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CRHBP P24387 1/20 0.36

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
SCHEMBL8636280 0.91 SLC7A5 (0.37) SLC7A5POLBNPSR1NPC1MEN1
SCHEMBL8883489 0.88 PRSS1 (0.35) SLC7A5POLBNPSR1NPC1MEN1
SCHEMBL8329548 0.83 LTA4H (0.41) SLC7A5POLBKMT2AMMP8ALDH1A1
SCHEMBL8803294 0.81 MMP8 (0.38) MMP8ALDH1A1TDP1CRHBPCRHR2
SCHEMBL8799066 0.80 LMNA (0.39) ADRB2ADRB1ADRB3MMP8TDP1
SCHEMBL8800048 0.78 PGR (0.35) NPC1MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL8799615 0.77 SLC7A5 (0.36) SLC7A5POLBNPSR1NPC1AAK1
SCHEMBL8799931 0.76 TSHR (0.36) POLBNPSR1KMT2ACYP1A2ALDH1A1
SCHEMBL8630768 0.76 SLC7A5 (0.43) SLC7A5KMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL26427016 0.76 SLC7A5 (0.44) SLC7A5CYP2D6CYP1A2CYP2C19ADRB2

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