SCHEMBL20195628

SCHEMBL20195628

CCOc1cccc(C(=O)O)c1COc1nc(C)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
APEX1 P27695 1/20 0.39
KDM4E B2RXH2 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HCRTR1 O43613 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HCRTR2 O43614 1/20 0.38
PTGER1 P34995 1/20 0.37

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
SCHEMBL20195619 0.89 KMT2A (0.41) MEN1HTTKMT2AAPEX1KDM4E
SCHEMBL20195659 0.85 CLCN2 (0.40) APEX1KDM4ELMNAMRGPRX4HSD17B10
SCHEMBL20195598 0.84 KMT2A (0.49) MEN1HTTKMT2AAPEX1L3MBTL1
SCHEMBL20195590 0.83 GABRA5 (0.44) TP53MEN1HTTKMT2AAPEX1
SCHEMBL20195623 0.83 MCL1 (0.42) TP53MEN1HTTKMT2AL3MBTL1
SCHEMBL20195589 0.83 ALDH1A1 (0.44) TP53MEN1HTTKMT2AKDM4E
SCHEMBL18831787 0.78 MRGPRX4 (0.46) APEX1LMNAMRGPRX4SMN1; SMN2NPC1
SCHEMBL20195612 0.77 GRM5 (0.36) TP53MEN1HTTKMT2AKDM4E
SCHEMBL16920926 0.76 MRGPRX4 (0.55) APEX1L3MBTL1LMNAMRGPRX4SMN1; SMN2
SCHEMBL1989711 0.74 L3MBTL1 (0.50) MEN1HTTKMT2AKDM4EL3MBTL1

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-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed