SCHEMBL6437338

SCHEMBL6437338

C=C(C)C(=O)OCCCCCCCCCCC/C=C/CC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.64
LPAR2 Q9HBW0 3/20 0.50
LPAR3 Q9UBY5 3/20 0.50
LPAR1 Q92633 1/20 0.50
THRB P10828 1/20 0.47
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
HTT P42858 1/20 0.46
F7 P08709 2/20 0.44
F3 P13726 2/20 0.44
MAPT P10636 2/20 0.44
CYP19A1 P11511 2/20 0.44
NR1I2 O75469 2/20 0.44
PTGS2 P35354 2/20 0.44
OXER1 Q8TDS5 1/20 0.44

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
SCHEMBL6437341 1.00 TSHR (0.64) TSHRLPAR2LPAR3LPAR1THRB
SCHEMBL22444842 0.98 TSHR (0.61) TSHRLPAR2LPAR3LPAR1THRB
SCHEMBL16669742 0.95 TSHR (0.58) TSHRLPAR2LPAR3LPAR1ALDH1A1
SCHEMBL15062349 0.93 TSHR (0.58) TSHRLPAR2LPAR3LPAR1THRB
SCHEMBL31208246 0.90 TSHR (0.80) TSHRALOX15HSD17B10POLBAPEX1
SCHEMBL9261227 0.90 TSHR (0.80) TSHRALOX15HSD17B10POLBAPEX1
SCHEMBL16669481 0.90 TSHR (0.80) TSHRALOX15HSD17B10POLBAPEX1
SCHEMBL16669478 0.90 TSHR (0.80) TSHRALOX15HSD17B10POLBAPEX1
SCHEMBL180887 0.90 TSHR (0.80) TSHRALOX15HSD17B10POLBAPEX1
SCHEMBL180885 0.90 TSHR (0.80) TSHRALOX15HSD17B10POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6897255-B1 Latex compositions containing ethylenically unsaturated esters of long-chain alkenols and applications thereof UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2005-05-24 US disclosed
US-6001913-A COATINGS, ADHESIVES AND INKS FROM BLENDS OF PLASTICIZING CROSSLINKABLE ALKENOL ESTER OF ETHYLENICALLY UNSATURATED CARBOXYLIC ACID MONOMER THE UNIVERSITY OF SOUTHERN MISSISSIPPI 1999-12-14 US disclosed