SCHEMBL2580294

SCHEMBL2580294

CC=CCC.CCC=CCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 6/20 0.36
CYP19A1 P11511 4/20 0.36
PPARG P37231 3/20 0.36
OXER1 Q8TDS5 3/20 0.36
MAPT P10636 3/20 0.36
RXRA P19793 2/20 0.36
FFAR1 O14842 2/20 0.36
TSHR P16473 1/20 0.35
F7 P08709 3/20 0.33
F3 P13726 3/20 0.33
PTGS1 P23219 2/20 0.33
KMT2A Q03164 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
TDP1 Q9NUW8 2/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL2580293 1.00 TRPA1 (0.37) TRPA1ALDH1A1CYP19A1PPARGOXER1
SCHEMBL1275676 0.96 TRPA1 (0.35) TRPA1ALDH1A1CYP19A1PPARGOXER1
SCHEMBL20191 0.96
SCHEMBL671814 0.96 TRPA1 (0.39) TRPA1ALDH1A1CYP19A1PPARGOXER1
SCHEMBL118763 0.96
SCHEMBL25429748 0.96 TRPA1 (0.39) TRPA1ALDH1A1CYP19A1PPARGOXER1
SCHEMBL26536 0.96
SCHEMBL1276395 0.92
Fluoride SCHEMBL11292635 0.92
SCHEMBL9701719 0.92 TRPA1 (0.37) TRPA1ALDH1A1CYP19A1PPARGOXER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563749-B1 A PROCESS FOR PRODUCING PROPYLENE AND AROMATICS FROM BUTENES BY METATHESIS AND AROMATIZATION SAUDI BASIC IND CORP (SA) 2016-07-20 EP disclosed
WO-2015077338-A1 OLEFIN CONVERSION PROCESS LUMMUS TECHNOLOGY INC. (US) 2015-05-28 WO disclosed
EP-2563749-A1 A PROCESS FOR PRODUCING PROPYLENE AND AROMATICS FROM BUTENES BY METATHESIS AND AROMATIZATION Saudi Basic Industries Corporation (SA) 2013-03-06 EP disclosed
WO-2011136983-A1 A PROCESS FOR PRODUCING PROPYLENE AND AROMATICS FROM BUTENES BY METATHESIS AND AROMATIZATION SAUDI BASIC INDUSTRIES CORPORATION (SA) 2011-11-03 WO disclosed