SCHEMBL2591643

SCHEMBL2591643

C=CCC.CC/C=C/CC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
ALDH1A1 P00352 4/20 0.37
TRPA1 O75762 1/20 0.37
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FFAR1 O14842 1/20 0.31
MAPT P10636 1/20 0.31
CYP19A1 P11511 1/20 0.31
RXRA P19793 1/20 0.31
PPARG P37231 1/20 0.31
OXER1 Q8TDS5 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
SCHEMBL2591645 1.00 TSHR (0.41) TSHRALDH1A1TRPA1MAPK1TDP1
Ethylene SCHEMBL1275255 0.96 TSHR (0.39) TSHRALDH1A1TRPA1
SCHEMBL10862 0.87
SCHEMBL4901795 0.87 TSHR (0.50) TSHRALDH1A1TRPA1MAPK1TDP1
SCHEMBL4950820 0.87 TSHR (0.50) TSHRALDH1A1TRPA1MAPK1TDP1
SCHEMBL3814841 0.87
SCHEMBL2430668 0.87 TSHR (0.50) TSHRALDH1A1TRPA1MAPK1TDP1
SCHEMBL5606390 0.87
Propene SCHEMBL2547798 0.84 TSHR (0.32) TSHRALDH1A1FFAR1MAPTCYP19A1
SCHEMBL17923350 0.84 TSHR (0.53) TSHRALDH1A1TDP1FFAR1MAPT

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
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
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