SCHEMBL8858191

SCHEMBL8858191

CCOC(=O)CC1(C(=O)OCC)CCN(CC2CN(CCCN3CCN(Cc4ccccc4)CC3)C(=O)O2)CC1.CS(=O)(=O)OCC1CN(CCCN2CCN(Cc3ccccc3)CC2)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 6/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
PKM P14618 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8858178 0.99 MEN1 (0.41) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL8858111 0.96 LMNA (0.41) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL7316074 0.93 ALDH1A1 (0.47) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL8858206 0.92 MEN1 (0.42) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL8858136 0.91 MEN1 (0.41) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL7307187 0.91 LMNA (0.46) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL8858157 0.91 MEN1 (0.42) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL8858164 0.90 MEN1 (0.44) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL8858181 0.89 L3MBTL1 (0.34) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL8858177 0.89 ALDH1A1 (0.43) MEN1KMT2AKDM4EALDH1A1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5627197-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-05-06 US disclosed