SCHEMBL16634557

SCHEMBL16634557

C=CC(=O)NCc1ccc(F)cc1B(O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 3/20 0.41
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
P2RX7 Q99572 9/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
PSMB5 P28074 2/20 0.34
LIPE Q05469 1/20 0.34

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
SCHEMBL16634494 0.89 TGM2 (0.41) TGM2MTNR1AMTNR1BP2RX7PSMB5
SCHEMBL12468919 0.82 TGM2 (0.45) TGM2MTNR1AMTNR1B
SCHEMBL16634646 0.79 TGM2 (0.45) TGM2CYP2D6CYP2C19
SCHEMBL16634568 0.79 TGM2 (0.46) TGM2
SCHEMBL15938679 0.77 TGM2 (0.43) TGM2MTNR1AMTNR1B
SCHEMBL19171260 0.76 HTT (0.56) P2RX7
SCHEMBL29957341 0.75 KDM4A (0.42)
SCHEMBL16634491 0.75 TGM2 (0.51) TGM2CYP2C19LIPE
SCHEMBL16634499 0.74 TGM2 (0.51) TGM2PSMB5
SCHEMBL30949051 0.73 TGM2 (0.53) TGM2

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