SCHEMBL8632498

SCHEMBL8632498

CCOC(=O)[C@@](CCC1CCCCN1C(=O)OC(C)(C)C)(OC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM1A O60341 1/20 0.41
ATM Q13315 2/20 0.40
CHEK2 O96017 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA5 P30532 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
PRMT5 O14744 1/20 0.37
OPRD1 P41143 1/20 0.37
HCRTR2 O43614 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
SCHEMBL8633831 0.88 MEN1 (0.42) MEN1KMT2AKDM1AATMCHEK2
SCHEMBL8636664 0.88 MEN1 (0.42) MEN1KMT2AKDM1AATMCHEK2
SCHEMBL27389981 0.85 KDM1A (0.42) MEN1KMT2AKDM1AATMCHEK2
SCHEMBL8636641 0.83 KDM4E (0.53) MEN1KMT2AKDM4EPKM
SCHEMBL8636353 0.78 ATM (0.42) MEN1KMT2AKDM1AATMCHEK2
SCHEMBL7398730 0.76 CHEK2 (0.57) MEN1KMT2AATMCHEK2HCRTR2
SCHEMBL8630070 0.75 MAPT (0.39) PKM
SCHEMBL8630074 0.75 MAPT (0.39) PKM
SCHEMBL8633173 0.75 SLC6A3 (0.43) MEN1KMT2AATMSCN1ASCN2A
SCHEMBL6609250 0.74 CHEK2 (0.56) KDM1AATMCHEK2KDM4ENPC1

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