SCHEMBL8636664

SCHEMBL8636664

COC(=O)[C@@](CCC1CCCN1C(=O)OC(C)(C)C)(OC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
OPRD1 P41143 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
USP30 Q70CQ3 1/20 0.40
KDM1A O60341 1/20 0.40
NPC1 O15118 1/20 0.40
HCRTR2 O43614 1/20 0.39
ATM Q13315 2/20 0.38
RIPK1 Q13546 1/20 0.38
ACKR3 P25106 1/20 0.38
KLK7 P49862 1/20 0.38
CHEK2 O96017 1/20 0.38
UCHL1 P09936 1/20 0.38
FPR3 P25089 1/20 0.37

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 1.00 MEN1 (0.42) MEN1KMT2AOPRD1KDM4EPKM
SCHEMBL27389981 0.91 KDM1A (0.42) MEN1KMT2AOPRD1KDM4EPKM
SCHEMBL8632498 0.88 MEN1 (0.44) MEN1KMT2AOPRD1KDM4EPKM
SCHEMBL27412994 0.80 ACKR3 (0.47) KDM4EPKMUSP30KDM1AACKR3
SCHEMBL27409995 0.79 KDM4E (0.55) MEN1KMT2AKDM4EPKM
SCHEMBL8634003 0.77 SMN1; SMN2 (0.42) KMT2AOPRD1KDM1ANPC1ATM
SCHEMBL8634345 0.77 SMN1; SMN2 (0.42) KMT2AOPRD1KDM1ANPC1ATM
SCHEMBL25969797 0.76 OPRD1 (0.45) MEN1KMT2AOPRD1KDM1ANPC1
SCHEMBL28463727 0.74 KDM4E (0.47) MEN1KMT2AOPRD1KDM4EPKM
SCHEMBL25969924 0.74 KDM4E (0.47) MEN1KMT2AOPRD1KDM4EPKM

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