SCHEMBL16634480

SCHEMBL16634480

C=CC(=O)Nc1cccc(B(O)O)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.45
JAK3 P52333 2/20 0.45
TEC P42680 1/20 0.45
TXK P42681 1/20 0.45
BMX P51813 1/20 0.45
ITK Q08881 1/20 0.45
ERBB4 Q15303 1/20 0.45
TGM2 P21980 7/20 0.45
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GSTO1 P78417 1/20 0.40
F13A1 P00488 1/20 0.38
LMNA P02545 1/20 0.38
TGM1 P22735 1/20 0.38
TGM3 Q08188 1/20 0.38
MAPT P10636 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
SCHEMBL236887 0.85 TGM2 (0.52) BTKTGM2PTPN1PTPN11GSTO1
SCHEMBL29954870 0.85 TGM2 (0.52) BTKTGM2PTPN1PTPN11GSTO1
SCHEMBL31162452 0.81 NPC1 (0.51) BTKJAK3TECTXKBMX
SCHEMBL17931668 0.81 NPC1 (0.51) BTKJAK3TECTXKBMX
SCHEMBL7191119 0.80 BTK (0.49) BTKJAK3TECTXKBMX
SCHEMBL2549708 0.80 ALDH1A1 (0.53) ALDH1A1POLBCYP2C19LMNAMAPT
SCHEMBL29126030 0.79 MAPT (0.49) BTKTGM2PTPN1PTPN11ALDH1A1
SCHEMBL25289986 0.79 MAPT (0.61) ALDH1A1POLBLMNAMAPT
SCHEMBL19279109 0.79 TGM2 (0.49) BTKJAK3TECTXKBMX
SCHEMBL29410377 0.79 MAPT (0.61) ALDH1A1POLBLMNAMAPT

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