SCHEMBL16634646

SCHEMBL16634646

C=CC(=O)NCc1ccccc1B(O)O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 3/20 0.45
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
LIPG Q9Y5X9 1/20 0.40
ALDH1A1 P00352 5/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
HPGD P15428 2/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.36
CYP2D6 P10635 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
SCHEMBL232004 0.87 ZDHHC20 (0.40) TGM2LIPGALDH1A1CYP2C9CYP2C19
SCHEMBL12355334 0.85 TGM2 (0.40) TGM2KMT2AGAALIPGALDH1A1
SCHEMBL59858 0.84 TGM2 (0.55) TGM2KMT2AGAAALDH1A1CYP2C9
SCHEMBL5082541 0.80 KMT2A (0.67) TGM2KMT2AGAAALDH1A1NPC1
SCHEMBL12494192 0.80 SETDB1 (0.50) KMT2ALIPGALDH1A1NPC1RAB9A
SCHEMBL16634557 0.79 TGM2 (0.41) TGM2CYP2C19CYP2D6
SCHEMBL16634494 0.79 TGM2 (0.41) TGM2ALDH1A1TSHRMAPK1TDP1
SCHEMBL14787896 0.79 CA12 (0.37) TGM2KMT2AGAAALDH1A1CYP2C9
SCHEMBL410698 0.78 TSHR (0.52) TGM2KMT2AGAAALDH1A1TSHR
SCHEMBL2449430 0.78 TGM2 (0.53) TGM2KMT2AGAAALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10088476-B2 Volume response sensors having analyte controlled reversible crosslinking THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-10-02 US disclosed
US-20160252505-A1 VOLUME RESPONSE SENSORS HAVING ANALYTE CONTROLLED REVERSIBLE CROSSLINKING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOI S (US) 2016-09-01 US disclosed
WO-2015053975-A1 VOLUME RESPONSE SENSORS HAVING CONTROLLED REVERSIBLE CROSSLINKING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-04-16 WO disclosed