SCHEMBL6519788

SCHEMBL6519788

O=C(O)CN1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1.O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
TET3 O43151 1/20 0.42
FBXL19 Q6PCT2 1/20 0.42
CXXC5 Q7LFL8 1/20 0.42
TET1 Q8NFU7 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
CXXC4 Q9H2H0 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
MEN1 O00255 2/20 0.36
AKR1C1 Q04828 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD11B1 P28845 3/20 0.36
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CHRM4 P08173 1/20 0.35

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
SCHEMBL3206093 0.89 KDM4E (0.43) KMT2AKDM4EALDH1A1FABP7FABP5
SCHEMBL119410 0.88 KMT2A (0.49) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL31398326 0.85 KDM4E (0.46) KMT2AKDM4EALDH1A1FABP7FABP5
SCHEMBL31505489 0.85 KDM4E (0.46) KMT2AKDM4EALDH1A1FABP7FABP5
SCHEMBL30481198 0.85 KDM4E (0.46) KMT2AKDM4EALDH1A1FABP7FABP5
SCHEMBL119822 0.85 KDM4E (0.46) KMT2AKDM4EALDH1A1FABP7FABP5
Water SCHEMBL4955373 0.84 KDM4E (0.45) KMT2AOPRM1KDM4EALDH1A1FABP7
SCHEMBL28078038 0.81 KDM4E (0.44) KMT2AKDM4EALDH1A1FABP7FABP5
SCHEMBL4870754 0.81 TET3 (0.50) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL22960725 0.81 KMT2A (0.42) KMT2ATET3FBXL19CXXC5TET1

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-20050176021-A1 Human RalGDS-like protein 3 GU YIZHONG (US) 2005-08-11 US disclosed