SCHEMBL16634483

SCHEMBL16634483

C=CC(=O)NCc1cccc(B(O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.50
ENPP2 Q13822 2/20 0.49
BTK Q06187 2/20 0.44
EGFR P00533 1/20 0.44
PSMB5 P28074 4/20 0.43
LPL P06858 2/20 0.42
LIPG Q9Y5X9 2/20 0.42
CXCR1 P25024 1/20 0.41
CXCR2 P25025 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
VCP P55072 1/20 0.40

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
SCHEMBL732581 0.85 TGM2 (0.61) TGM2BTKEGFRALDH1A1LMNA
SCHEMBL30949051 0.81 TGM2 (0.53) TGM2BTKEGFR
SCHEMBL16634475 0.81 TGM2 (0.65) TGM2LPLLIPGALDH1A1LMNA
SCHEMBL955708 0.80 ENPP2 (0.53) ENPP2PSMB5LPLLIPGCXCR1
SCHEMBL1119154 0.80 MMP1 (0.55) TGM2BTKEGFRALDH1A1LMNA
SCHEMBL2452069 0.80 TGM2 (0.54) TGM2BTKEGFRALDH1A1LMNA
SCHEMBL6581126 0.78 MMP13 (0.55) TGM2BTKEGFRALDH1A1
SCHEMBL12179333 0.78 TGM2 (0.53) TGM2BTKEGFRALDH1A1LMNA
SCHEMBL11435074 0.78 TGM2 (0.53) TGM2BTKEGFRALDH1A1LMNA
SCHEMBL17699675 0.78 TGM2 (0.66) TGM2BTKEGFRLMNA

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