SCHEMBL8636280

SCHEMBL8636280

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 1/20 0.36
PRSS1 P07477 2/20 0.35
CTSG P08311 2/20 0.35
CTRB1 P17538 2/20 0.35
CMA1 P23946 2/20 0.35
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRB3 P13945 2/20 0.35
MMP8 P22894 1/20 0.35
SLC22A2 O15244 1/20 0.35
TMPRSS2 O15393 1/20 0.35
F2 P00734 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
SCHEMBL8883489 0.96 PRSS1 (0.35) SLC7A5POLBNPSR1MEN1KMT2A
SCHEMBL8633548 0.91 SLC7A5 (0.40) SLC7A5POLBNPSR1MEN1KMT2A
SCHEMBL8632463 0.76 CYP1A2 (0.35) KMT2ACYP1A2LMNA
SCHEMBL8329548 0.75 LTA4H (0.41) SLC7A5POLBKMT2AMMP8CRHBP
SCHEMBL8799066 0.74 LMNA (0.39) ADRB2ADRB1ADRB3MMP8CRHBP
SCHEMBL8803294 0.74 MMP8 (0.38) PRSS1CTSGCTRB1CMA1MMP8
SCHEMBL8630768 0.73 SLC7A5 (0.43) SLC7A5KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL8633545 0.70 SLC7A5 (0.43) SLC7A5POLBNPSR1MEN1KMT2A
SCHEMBL26427016 0.70 SLC7A5 (0.44) SLC7A5CYP1A2CYP2D6CYP2C19ADRB2
SCHEMBL9785870 0.70 NPC1 (0.43) POLBNPSR1MEN1KMT2ANPC1

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
EP-0667850-B1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE FARMACEUTICI SPA (IT) 1997-05-28 EP disclosed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed