SCHEMBL1721043

SCHEMBL1721043

C=CC(C=C)(C(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.52
AKT1 P31749 1/20 0.52
ALDH1A1 P00352 3/20 0.44
CES2 O00748 3/20 0.44
TSHR P16473 3/20 0.44
DAO P14920 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA9 Q16790 2/20 0.43
TDP1 Q9NUW8 3/20 0.43
MAPK1 P28482 3/20 0.43
SRC P12931 1/20 0.42
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
CA4 P22748 2/20 0.41
POLB P06746 1/20 0.41
PARP1 P09874 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL9091938 0.78 CES1 (0.48) CES1AKT1ALDH1A1CES2TSHR
SCHEMBL28601199 0.78 CES1 (0.48) CES1AKT1ALDH1A1CES2TSHR
SCHEMBL1123626 0.75 CES1 (0.46) CES1AKT1ALDH1A1CES2TSHR
SCHEMBL28593680 0.74 CES1 (0.44) CES1AKT1ALDH1A1CES2TSHR
SCHEMBL8641394 0.74 CES1 (0.53) CES1AKT1ALDH1A1CES2TSHR
SCHEMBL1799477 0.72 CES1 (0.64) CES1ALDH1A1CES2TSHRDAO
SCHEMBL27938670 0.72 CES1 (0.64) CES1ALDH1A1CES2TSHRDAO
Acrylic Acid SCHEMBL5153916 0.71 AKT1 (0.50) CES1AKT1ALDH1A1CES2TSHR
SCHEMBL3305369 0.71 ALDH1A1 (0.50) CES1AKT1ALDH1A1CES2TSHR
SCHEMBL7528244 0.70 CES1 (0.61) CES1ALDH1A1CES2TSHRDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040265178-A1 Molecularly imprinted polymer solution anion sensor MURRAY GEORGE M (US) 2004-12-30 US claimed
EP-1436599-A2 MOLECULARLY IMPRINTED POLYMER SOLUTION ANION SENSOR The Johns Hopkins University (US) 2004-07-14 EP claimed
US-6749811-B2 QUANTITATIVE ANALYSIS; USING POLYMER BOUND TO RARE EARTH COMPOUND; WATER POLLUTION CONTROL THE JOHNS HOPKINS UNIVERSITY 2004-06-15 US claimed
US-20030129092-A1 Molecularly imprinted polymer solution anion sensor JOHN HOPKINS UNIVERSITY, THE 2003-07-10 US claimed
WO-2003034043-A2 MOLECULARLY IMPRINTED POLYMER SOLUTION ANION SENSOR THE JOHNS HOPKINS UNIVERSTIY (US) 2003-04-24 WO claimed
EP-1733211-B1 PROCESSABLE MOLECULARLY IMPRINTED POLYMERS UNIV JOHNS HOPKINS (US) 2012-01-11 EP 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