SCHEMBL8858136

SCHEMBL8858136

CCOC(=O)CC1(C(=O)OCC)CCN(CC2CN(CCCCC3CCN(Cc4ccccc4)CC3)C(=O)O2)CC1.CS(=O)(=O)OCC1CN(CCCCC2CCN(Cc3ccccc3)CC2)C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 4/20 0.39
PKM P14618 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 2/20 0.37
MAOA P21397 1/20 0.37
HTT P42858 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
SCHEMBL8858206 0.98 MEN1 (0.42) MEN1KMT2AKDM4EALDH1A1PKM
SCHEMBL8858157 0.95 MEN1 (0.42) MEN1KMT2AKDM4EALDH1A1PKM
SCHEMBL7306793 0.93 LMNA (0.43) MEN1KMT2AKDM4EALDH1A1PKM
SCHEMBL8858178 0.93 MEN1 (0.41) MEN1KMT2AKDM4EALDH1A1PKM
SCHEMBL8858164 0.92 MEN1 (0.44) MEN1KMT2AKDM4EALDH1A1PKM
SCHEMBL8858191 0.91 MEN1 (0.42) MEN1KMT2AKDM4EALDH1A1PKM
SCHEMBL7317133 0.91 LMNA (0.44) MEN1KMT2AKDM4EALDH1A1PKM
SCHEMBL8858111 0.90 LMNA (0.41) MEN1KMT2AKDM4EALDH1A1PKM
SCHEMBL8858139 0.90 LMNA (0.40) MEN1KMT2AKDM4EALDH1A1PKM
SCHEMBL7306280 0.89 LMNA (0.45) MEN1KMT2AKDM4EALDH1A1PKM

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