SCHEMBL8633526

SCHEMBL8633526

COC(=O)[C@](O)(CCC1CCCCN1C(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
ATM Q13315 2/20 0.41
PDE8B O95263 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.38
CHEK2 O96017 1/20 0.37
EPHX1 P07099 1/20 0.36
PRMT5 O14744 1/20 0.35
OPRD1 P41143 1/20 0.35
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
FKBP1A P62942 1/20 0.34

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
SCHEMBL27411484 1.00 KDM1A (0.41) KDM1AATMPDE8BSMN1; SMN2HSD17B10
SCHEMBL8634003 0.96 SMN1; SMN2 (0.42) KDM1AATMPDE8BSMN1; SMN2HSD17B10
SCHEMBL8634345 0.96 SMN1; SMN2 (0.42) KDM1AATMPDE8BSMN1; SMN2HSD17B10
SCHEMBL8636353 0.89 ATM (0.42) KDM1AATMPDE8BSMN1; SMN2HSD17B10
SCHEMBL9203592 0.85 ATM (0.45) KDM1AATMPDE8BSMN1; SMN2HSD17B10
SCHEMBL27410708 0.81 KDM1A (0.44) KDM1AATMPDE8BSMN1; SMN2HSD17B10
SCHEMBL27407970 0.78 KDM4E (0.48) EPHX1HPGD
SCHEMBL8633625 0.78 KDM4E (0.48) EPHX1HPGD
SCHEMBL6157710 0.78 ATM (0.47) KDM1AATMPDE8BSMN1; SMN2HSD17B10
SCHEMBL7989798 0.78 ATM (0.47) KDM1AATMPDE8BSMN1; SMN2HSD17B10

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