SCHEMBL16634494

SCHEMBL16634494

C=CC(=O)NCc1cc(F)ccc1B(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.41
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
BRD4 O60885 3/20 0.35
PSMB5 P28074 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
P2RX7 Q99572 2/20 0.34
DDR1 Q08345 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 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
SCHEMBL16634557 0.89 TGM2 (0.41) TGM2MTNR1AMTNR1BPSMB5P2RX7
SCHEMBL15938679 0.79 TGM2 (0.43) TGM2MTNR1AMTNR1BALDH1A1TSHR
SCHEMBL16634646 0.79 TGM2 (0.45) TGM2ALDH1A1TSHRMAPK1TDP1
SCHEMBL12468919 0.79 TGM2 (0.45) TGM2MTNR1AMTNR1BALDH1A1TSHR
SCHEMBL29952911 0.75 KDM4A (0.42) CXCR1CXCR2SMN1; SMN2BRD4DDR1
SCHEMBL870480 0.75 KDM4A (0.42) CXCR1CXCR2SMN1; SMN2BRD4DDR1
SCHEMBL31758459 0.75 SLC6A4 (0.47) CXCR1CXCR2SMN1; SMN2ALDH1A1
SCHEMBL16634499 0.74 TGM2 (0.51) TGM2PSMB5ALDH1A1FGFR1FGFR4
SCHEMBL30949051 0.73 TGM2 (0.53) TGM2MAPK1
SCHEMBL15780079 0.72 CXCR1 (0.41) CXCR1CXCR2SMN1; SMN2MAPK1

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