SCHEMBL16634475

SCHEMBL16634475

C=CC(=O)NCc1ccc(B(O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.65
TRPV1 Q8NER1 7/20 0.51
LMNA P02545 2/20 0.41
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CSK P41240 1/20 0.41

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
SCHEMBL732934 0.87 TGM2 (0.81) TGM2LMNAALDH1A1CYP2D6CYP2C19
SCHEMBL16634483 0.81 TGM2 (0.50) TGM2TRPV1LMNALPLLIPG
SCHEMBL2452377 0.80 TGM2 (0.71) TGM2LMNAALDH1A1CYP2D6CYP2C19
SCHEMBL124217 0.80 TGM2 (0.71) TGM2TRPV1LMNAALDH1A1CYP2D6
SCHEMBL9179038 0.79 TGM2 (0.69) TGM2LMNAALDH1A1CYP2D6CYP2C19
SCHEMBL5071229 0.79 TGM2 (0.69) TGM2LMNAALDH1A1CYP2C19
SCHEMBL4927519 0.79 TGM2 (0.69) TGM2LMNAALDH1A1CYP2C19TDP1
SCHEMBL2723387 0.79 TGM2 (0.69) TGM2LMNAALDH1A1CYP2D6CYP2C19
SCHEMBL2722983 0.79 TGM2 (0.74) TGM2LMNAALDH1A1CYP2D6CYP2C19
SCHEMBL8966436 0.79 TGM2 (1.00) TGM2LMNAALDH1A1CYP2D6CYP2C19

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