SCHEMBL20142801

SCHEMBL20142801

O=C(O)N1OC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
EPHX1 P07099 1/20 0.38
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.37
EDNRA P25101 1/20 0.36
HDAC4 P56524 2/20 0.35
KMT2A Q03164 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
MEN1 O00255 1/20 0.35
RIPK1 Q13546 1/20 0.34
MAOB P27338 3/20 0.33
TSHR P16473 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 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
SCHEMBL22179555 0.83 L3MBTL1 (0.39) L3MBTL1EPHX1POLBALDH1A1EDNRA
SCHEMBL21393085 0.83 POLB (0.47) L3MBTL1EPHX1POLBKMT2AMEN1
SCHEMBL21392858 0.79 TSHR (0.46) L3MBTL1KMT2AMEN1RIPK1TSHR
SCHEMBL21392796 0.79 RIPK1 (0.45) L3MBTL1EPHX1POLBRIPK1
SCHEMBL7190779 0.79 MEN1 (0.45) POLBKMT2AMEN1TSHR
SCHEMBL21401879 0.79 BCHE (0.38) L3MBTL1POLBALDH1A1RIPK1
SCHEMBL20160512 0.76 TSHR (0.51) POLBALDH1A1KMT2AMEN1MAOB
SCHEMBL21739363 0.76 ALDH1A1 (0.46) L3MBTL1POLBALDH1A1KMT2AAKR1C3
SCHEMBL21739351 0.75 RORC (0.43) EPHX1RIPK1
SCHEMBL21739336 0.75 P2RX4 (0.45) L3MBTL1POLBALDH1A1KMT2AMEN1

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
EP-3538087-A1 REDOX-BASED REAGENTS FOR METHIONINE BIOCONJUGATION The Regents of the University of California (US) 2019-09-18 EP disclosed
WO-2018089951-A1 REDOX-BASED REAGENTS FOR METHIONINE BIOCONJUGATION REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-17 WO disclosed