SCHEMBL8630074

SCHEMBL8630074

CCOC(=O)C(CCC1CCNCC1)(OC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.39
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
OPRM1 P35372 1/20 0.38
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PLAT P00750 1/20 0.36
ITGAV P06756 1/20 0.36
PIN1 Q13526 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 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
SCHEMBL8630070 1.00 MAPT (0.39) MAPTPKMLMNAITGB3ITGA2B
SCHEMBL8633167 0.84 SLC6A3 (0.43) LMNAITGB3ITGA2BPOLB
SCHEMBL8633173 0.84 SLC6A3 (0.43) LMNAITGB3ITGA2BPOLB
SCHEMBL8636641 0.82 KDM4E (0.53) PKMLMNA
SCHEMBL8629719 0.79 BCHE (0.49)
SCHEMBL8629722 0.79 BCHE (0.49)
SCHEMBL2776358 0.76 TDP1 (0.53) LMNAITGB3ITGA2B
Hydrochloric Acid SCHEMBL27944480 0.75 TDP1 (0.51) LMNAITGB3ITGA2BSMN1; SMN2
SCHEMBL27725512 0.74 TDP1 (0.58) LMNAITGB3ITGA2BITGAV
SCHEMBL8629578 0.73 CHRNB4 (0.37)

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
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