SCHEMBL5146748

SCHEMBL5146748

COc1cc(/C=C/CC(=O)O)cc(OC)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.63
PKM P14618 2/20 0.63
PTGS2 P35354 1/20 0.63
CYP3A4 P08684 2/20 0.60
CYP2B6 P20813 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
ALOX5 P09917 8/20 0.54
ABL1 P00519 1/20 0.53
BCR P11274 1/20 0.53
MET P08581 3/20 0.52
KDM4E B2RXH2 2/20 0.51
GAA P10253 1/20 0.51
STAT3 P40763 2/20 0.50
NFE2L2 Q16236 2/20 0.50
PTGES O14684 1/20 0.50
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49

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
SCHEMBL9046978 0.87 HTR1A (0.63) CYP1A2KDM4EGAATUBB1CA1
SCHEMBL9046973 0.87 HTR1A (0.63) CYP1A2KDM4EGAATUBB1CA1
SCHEMBL9044602 0.82 KDM4E (0.64) PTGS1PTGS2CYP1A2KDM4ENFE2L2
SCHEMBL9044613 0.82 KDM4E (0.64) PTGS1PTGS2CYP1A2KDM4ENFE2L2
SCHEMBL17361873 0.79 CYP1A1 (0.55) PTGS1PTGS2CYP3A4CYP1A2CYP2D6
SCHEMBL17361874 0.79 CYP1A1 (0.55) PTGS1PTGS2CYP3A4CYP1A2CYP2D6
SCHEMBL2492516 0.79 PTGS1 (0.54) PTGS1PKMPTGS2CYP3A4CYP2B6
SCHEMBL807443 0.79 ABL1 (0.59) PTGS1PKMPTGS2CYP3A4CYP2B6
SCHEMBL1457517 0.79 ABL1 (0.59) PTGS1PKMPTGS2CYP3A4CYP2B6
SCHEMBL29603846 0.79 ABL1 (0.59) PTGS1PKMPTGS2CYP3A4CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190247317-A1 ICAM-1 TARGETING ELPS UNIVERSITY OF SOUTHERN CALIFORNIA 2019-08-15 US disclosed
US-20150238431-A1 ICAM-1 TARGETING ELPS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2015-08-27 US disclosed
WO-2014059384-A2 ICAM-1 TARGETING ELPs UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2014-04-17 WO disclosed
US-20130236416-A1 SURFACE MODIFIED COLLOIDAL PARTICLES CLEMSON UNIVERSITY (US) 2013-09-12 US disclosed
US-20070069122-A1 In situ polypeptide identification HOFFMANN-LA ROCHE INC. 2007-03-29 US disclosed
US-7176280-B2 Isolated polypeptides and compositions from the venom of P. transvaalicus and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-02-13 US disclosed
EP-1729133-A1 Transthyretin as marker for nephrotoxicity F. HOFFMANN-LA ROCHE AG (CH) 2006-12-06 EP disclosed
EP-1729134-A1 In situ biomarker identification F. HOFFMANN-LA ROCHE AG (CH) 2006-12-06 EP disclosed
US-20030113892-A1 Isolated polypeptides and compositions from the venom of P. transvaalicus and methods of use REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2003-06-19 US disclosed
WO-2003028666-A2 ISOLATED POLYPEPTIDES AND COMPOSITIONS FROM THE VENOM OF P. TRANSVAALICUS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-04-10 WO disclosed