SCHEMBL8629689

SCHEMBL8629689

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
SRC P12931 1/20 0.46
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNN4 O15554 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LOXL2 Q9Y4K0 2/20 0.40
HSD17B10 Q99714 1/20 0.40
F2 P00734 1/20 0.40

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
SCHEMBL8630758 0.79 IDO1 (0.44) TSHRSRCCYP2D6CYP1A2CYP2C19
SCHEMBL8634343 0.79 KMT2A (0.46) TSHRCYP2D6ALDH1A1MAPTMAPK1
SCHEMBL27414232 0.79 TSHR (0.41) TSHRSRCCYP2D6CYP1A2CYP2C19
SCHEMBL8631399 0.79 LMNA (0.45) TSHRCYP2D6CYP1A2CYP2C19ALDH1A1
SCHEMBL9282350 0.79 TSHR (0.44) TSHRSRCCYP2D6CYP1A2CYP2C19
SCHEMBL8629879 0.78 KMT2A (0.48) CYP2D6ALDH1A1MAPK1POLBKMT2A
SCHEMBL8636980 0.76 LMNA (0.43) TSHRCYP2D6CYP1A2CYP2C19ALDH1A1
SCHEMBL9760631 0.76 TSHR (0.46) TSHRCYP2D6CYP1A2CYP2C19ALDH1A1
SCHEMBL8630763 0.76 SLC7A5 (0.45) TSHRSRCCYP2D6CYP1A2CYP2C19
SCHEMBL27393499 0.76 TSHR (0.41) TSHRSRCCYP2D6CYP1A2CYP2C19

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 4 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
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed