SCHEMBL5031423

SCHEMBL5031423

CC(C)(Br)C(=O)OCc1cccc2cc3ccccc3cc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.43
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
PARP10 Q53GL7 2/20 0.40
PARP15 Q460N3 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PPARG P37231 1/20 0.38
NQO2 P16083 1/20 0.38
EPHX1 P07099 1/20 0.38
MTNR1B P49286 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SIRT5 Q9NXA8 1/20 0.36
AKR1B1 P15121 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL12128716 0.87 MTNR1A (0.42) MTNR1AKDM4EALDH1A1GLAPARP10
SCHEMBL13292523 0.86 MTNR1A (0.42) MTNR1AKDM4EALDH1A1GLAPARP10
SCHEMBL27585843 0.82 ALDH1A1 (0.51) MTNR1AKDM4EALDH1A1PARP10PARP15
SCHEMBL14863734 0.81 EPHX1 (0.49) KDM4EALDH1A1GLAMEN1KMT2A
SCHEMBL27736259 0.81 KDM4E (0.49) MTNR1AKDM4EALDH1A1GLAPARP10
SCHEMBL2605923 0.80 MTNR1A (0.39) MTNR1AKDM4EALDH1A1GLAPARP10
SCHEMBL20010311 0.79 KDM4E (0.50) MTNR1AKDM4EALDH1A1PARP10PARP15
SCHEMBL529123 0.79 KDM4E (0.51) MTNR1AKDM4EALDH1A1PARP10PARP15
SCHEMBL14035905 0.78 MTNR1A (0.37) MTNR1AKDM4EALDH1A1GLAPARP10
SCHEMBL14009413 0.78 KDM4E (0.38) MTNR1AKDM4EALDH1A1GLAPARP10

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
EP-1944325-A1 PROCESS FOR PRODUCTION OF POLYMER USING IRON COMPLEX AS CATALYST Kyushu University, National University Corporation (JP) 2008-07-16 EP disclosed