SCHEMBL10317013

SCHEMBL10317013

CCOC(=O)c1cc(-c2oc(C)c(C(=O)OCC)c2C)cc(CN2CCNCCNCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 6/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 2/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM5C P41229 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
MCL1 Q07820 1/20 0.33
ATM Q13315 1/20 0.33
HPGD P15428 1/20 0.33
SSTR5 P35346 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR55 Q9Y2T6 1/20 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
SCHEMBL3015657 0.81 MAPT (0.39) LMNATSHRALDH1A1GAAKMT2A
SCHEMBL3019716 0.80 MAPT (0.39) LMNATSHRALDH1A1GAAKMT2A
SCHEMBL3477764 0.79 ALDH1A1 (0.40) TSHRALDH1A1KMT2AKDM4EMEN1
SCHEMBL3022329 0.77 CHRM3 (0.37) KMT2AKDM4EMEN1TP53MAPT
SCHEMBL3016482 0.75 ALDH1A1 (0.36) LMNATSHRALDH1A1KMT2AKDM4E
SCHEMBL3021494 0.75 ALDH1A1 (0.36) LMNATSHRALDH1A1KMT2AKDM4E
SCHEMBL19529557 0.72 ALDH1A1 (0.39) LMNATSHRALDH1A1KMT2AKDM4E
SCHEMBL2822250 0.71 CYP1A2 (0.55) LMNAALDH1A1GAAKDM4EMAPT
SCHEMBL3021173 0.71 ALDH1A1 (0.38) TSHRALDH1A1KMT2AKDM4EMEN1
SCHEMBL3019178 0.70 ALDH1A1 (0.31) LMNATSHRALDH1A1KMT2AKDM4E

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-8221719-B2 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof WALLAC OY (FI) 2012-07-17 US disclosed