SCHEMBL5047783

SCHEMBL5047783

C=COC(=O)c1cccc(C=C)c1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 2/20 0.34
ESR2 Q92731 1/20 0.33
KDM4E B2RXH2 4/20 0.32
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32
TLR6 Q9Y2C9 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSD17B10 Q99714 2/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL30280797 0.85 ALDH1A1 (0.48) ALDH1A1POLBRAB9ATSHRKDM4E
SCHEMBL16958924 0.85 ALDH1A1 (0.48) ALDH1A1POLBRAB9ATSHRKDM4E
SCHEMBL7770875 0.83 MEN1 (0.44) ALDH1A1POLBRAB9ACYP3A4TSHR
SCHEMBL2043425 0.82 CYP3A4 (0.43) ALDH1A1CYP3A4TSHRKDM4EHSD17B10
SCHEMBL28143156 0.81 AKT1 (0.39) ALDH1A1POLBRAB9ACYP3A4TSHR
SCHEMBL11856483 0.80 ESR2 (0.37) ALDH1A1POLBCYP3A4TSHRESR2
SCHEMBL5082542 0.79 TSHR (0.47) ALDH1A1POLBRAB9ACYP3A4TSHR
SCHEMBL10974422 0.79 ESR2 (0.36) ALDH1A1CYP3A4TSHRESR2KDM4E
SCHEMBL28836772 0.77 ALDH1A1 (0.38) ALDH1A1POLBCYP3A4TSHRESR2
SCHEMBL5189064 0.77 ALDH1A1 (0.44) ALDH1A1RAB9ATSHRKDM4EL3MBTL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120164027-A1 Polymer Based Lanthanide Luminescent Sensors for the Detection of Organophosphorus Compounds MURRAY GEORGE M (US) 2012-06-28 US disclosed
US-7416703-B2 Polymer based lanthanide luminescent sensors for the detection of organophosphorus compounds THE JOHNS HOPKINS UNIVERSITY (US) 2008-08-26 US disclosed
US-20050019218-A1 Polymer based lanthanide luminescent sensors for the detection of organophosphorus compounds MURRAY GEORGE M (US) 2005-01-27 US disclosed
US-20040265178-A1 Molecularly imprinted polymer solution anion sensor MURRAY GEORGE M (US) 2004-12-30 US disclosed
EP-1436599-A2 MOLECULARLY IMPRINTED POLYMER SOLUTION ANION SENSOR The Johns Hopkins University (US) 2004-07-14 EP disclosed
US-6749811-B2 QUANTITATIVE ANALYSIS; USING POLYMER BOUND TO RARE EARTH COMPOUND; WATER POLLUTION CONTROL THE JOHNS HOPKINS UNIVERSITY 2004-06-15 US disclosed
US-20030129092-A1 Molecularly imprinted polymer solution anion sensor JOHN HOPKINS UNIVERSITY, THE 2003-07-10 US disclosed
WO-2003034043-A2 MOLECULARLY IMPRINTED POLYMER SOLUTION ANION SENSOR THE JOHNS HOPKINS UNIVERSTIY (US) 2003-04-24 WO disclosed