SCHEMBL1712461

SCHEMBL1712461

C=C(C)C(=O)OB(OC(=O)C(=C)C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.46
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 3/20 0.36
HPGD P15428 1/20 0.36
ORAI1 Q96D31 2/20 0.34
ORAI2 Q96SN7 2/20 0.34
ORAI3 Q9BRQ5 2/20 0.34
TRPV6 Q9H1D0 2/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
ENPP2 Q13822 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
PCSK9 Q8NBP7 1/20 0.34
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
POLB P06746 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
SCHEMBL28524847 0.85 ELANE (0.44) ELANEALDH1A1KDM4EMAPTHPGD
SCHEMBL9621660 0.81 ALDH1A1 (0.44) ELANEALDH1A1KDM4EMAPTHPGD
SCHEMBL918997 0.76 ORAI1 (0.42) ALDH1A1MAPTORAI1ORAI2ORAI3
SCHEMBL5778129 0.73 KMT2A (0.44) ALDH1A1KDM4EHPGDCES2CES1
SCHEMBL384013 0.72 ORAI1 (0.42) ALDH1A1MAPTORAI1ORAI2ORAI3
Benzene SCHEMBL28301757 0.71 ELANE (0.73) ELANEALDH1A1KDM4EMAPTHPGD
Benzene SCHEMBL27862765 0.71 ELANE (0.73) ELANEALDH1A1KDM4EMAPTHPGD
SCHEMBL15058 0.71 ELANE (0.73) ELANEALDH1A1KDM4EMAPTHPGD
SCHEMBL87437 0.71 ELANE (0.73) ELANEALDH1A1KDM4EMAPTHPGD
Phenylboronic Acid SCHEMBL1712456 0.71 ENPP2 (0.61) ALDH1A1KDM4EHPGDORAI1ORAI2

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-20120097540-A1 MATERIALS AND METHODS FOR RESOLVING POLYHYDRIC SPECIES BY ELECTROPHORESIS JAMES TONY DAVID (GB) 2012-04-26 US disclosed
EP-2344885-A2 MATERIALS AND METHODS FOR RESOLVING POLYHYDRIC SPECIES BY ELECTROPHORESIS The University of Bath (GB) 2011-07-20 EP disclosed
WO-2010041037-A2 MATERIALS AND METHODS FOR RESOLVING POLYHYDRIC SPECIES BY ELECTROPHORESIS THE UNIVERSITY OF BATH (GB) 2010-04-15 WO disclosed