SCHEMBL8633625

SCHEMBL8633625

COC(=O)[C@](O)(CCC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
EPHX1 P07099 1/20 0.44
HPGD P15428 1/20 0.43
GPR119 Q8TDV5 7/20 0.42
ALDH1A1 P00352 1/20 0.42
FAAH O00519 1/20 0.42
RECQL P46063 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
STS P08842 1/20 0.41
GLS O94925 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
SCHEMBL27407970 1.00 KDM4E (0.48) KDM4EPKMEPHX1HPGDGPR119
SCHEMBL8631686 0.88 KDM4E (0.44) KDM4EPKMEPHX1HPGDGPR119
SCHEMBL22284425 0.84 KDM4E (0.49) KDM4EPKMEPHX1HPGDGPR119
SCHEMBL18497332 0.84 KDM4E (0.49) KDM4EPKMEPHX1HPGDGPR119
SCHEMBL27461430 0.81 KDM4E (0.51) KDM4EPKMEPHX1HPGDGPR119
SCHEMBL27796560 0.81 KDM4E (0.51) KDM4EPKMEPHX1HPGDGPR119
SCHEMBL9389313 0.81 HPGD (0.44) KDM4EPKMEPHX1HPGDGPR119
SCHEMBL8634003 0.79 SMN1; SMN2 (0.42) ALDH1A1
SCHEMBL15143956 0.79 HPGD (0.53) KDM4EPKMEPHX1HPGDGPR119
SCHEMBL8633526 0.78 KDM1A (0.41) EPHX1HPGD

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
CN-1091741-A Tartronic acid and acetal ether thereof and O-ester DOMPE FARMACEUTICI SPA (IT) 1994-09-07 CN disclosed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed