SCHEMBL8630758

SCHEMBL8630758

COC(=O)C(CCNC(=O)OC(C)(C)C)(OC(=O)c1ccccc1)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
MALT1 Q9UDY8 1/20 0.42
TSHR P16473 2/20 0.41
DRD2 P14416 5/20 0.41
PTPRB P23467 1/20 0.41
BCHE P06276 1/20 0.40
SYK P43405 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL8883484 0.85 PTPRB (0.45) IDO1DRD2PTPRBSYKTDP1
SCHEMBL8632625 0.84 IDO1 (0.46) IDO1MALT1PTPRBBCHESYK
SCHEMBL8633540 0.82 IDO1 (0.46) IDO1DRD2PTPRBSYKTDP1
SCHEMBL8633439 0.80 NPSR1 (0.46) IDO1DRD2PTPRBSYKTDP1
SCHEMBL8629689 0.79 TSHR (0.50) TSHRALDH1A1HSD17B10TDP1KMT2A
SCHEMBL8457758 0.77 IDO1 (0.62) IDO1MALT1TSHRBCHESYK
SCHEMBL1754810 0.75 POLB (0.58) IDO1MALT1BCHEGAANPSR1
SCHEMBL8633833 0.75 SYK (0.40) IDO1MALT1DRD2SYKTDP1
SCHEMBL28584880 0.75 IDO1 (0.53) IDO1MALT1TSHRDRD2BCHE
SCHEMBL14985078 0.74 IDO1 (0.52) IDO1MALT1DRD2TDP1MEN1

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 claimed
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
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed