SCHEMBL13669347

SCHEMBL13669347

CC[C@@H]1C[C@@H](O)CN1C(=O)CCc1cc2nc3ccc(OC(=O)C(C)(C)C)cc3oc-2cc1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 1/20 0.36
APP P05067 9/20 0.35
CYP1A2 P05177 1/20 0.35
S1PR4 O95977 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
S1PR1 P21453 1/20 0.34
CA2 P00918 2/20 0.33

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
SCHEMBL13669342 0.88 APP (0.40) KMT2ARAB9AKDM4EALDH1A1MEN1
SCHEMBL4017592 0.87 KDM4E (0.34) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL4017596 0.82 KDM4E (0.31) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL13669345 0.81
SCHEMBL532222 0.77 KMT2A (0.44) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL4359986 0.75 ITGA4 (0.33) NPC1RAB9AAPP
SCHEMBL4359990 0.71 APP (0.31) APP
SCHEMBL4363054 0.71 APP (0.37) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL13669348 0.69 KDM4E (0.31) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL532296 0.67 KDM4E (0.37) KMT2ANPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569516-B2 Compounds and methods for fluorescent labeling ELITECH HOLDING B.V. (NL) 2013-10-29 US disclosed
US-7601851-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2009-10-13 US disclosed