SCHEMBL3307804

SCHEMBL3307804

C#CC#CC/C=C/CCCCCC=C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.43
CACNA2D1 P54289 1/20 0.43
CACNB2 Q08289 1/20 0.43
CACNA1C Q13936 1/20 0.43
TRPA1 O75762 3/20 0.37
TSHR P16473 1/20 0.35
LPAR3 Q9UBY5 1/20 0.32
ABCC4 O15439 1/20 0.31
MAPT P10636 1/20 0.31
USP2 O75604 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
SCHEMBL3307810 1.00 ABCG2 (0.43) ABCG2CACNA2D1CACNB2CACNA1CTRPA1
SCHEMBL4245970 0.79 PTPN1 (0.40) ABCG2CACNA2D1CACNB2CACNA1CMAPT
SCHEMBL9489165 0.75 ABCG2 (0.46) ABCG2CACNA2D1CACNB2CACNA1CTRPA1
SCHEMBL31169567 0.75 ABCG2 (0.46) ABCG2CACNA2D1CACNB2CACNA1CTRPA1
SCHEMBL9489171 0.75 ABCG2 (0.46) ABCG2CACNA2D1CACNB2CACNA1CTRPA1
SCHEMBL25185226 0.73 TSHR (0.58) TRPA1TSHRLPAR3ABCC4MAPT
SCHEMBL25185227 0.73 TSHR (0.58) TRPA1TSHRLPAR3ABCC4MAPT
SCHEMBL9467899 0.73 TSHR (0.58) TRPA1TSHRLPAR3ABCC4MAPT
SCHEMBL25185962 0.73 TSHR (0.58) TRPA1TSHRLPAR3ABCC4MAPT
SCHEMBL9467732 0.73 TSHR (0.58) TRPA1TSHRLPAR3ABCC4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100098788-A1 Extracts of Curcuma and Methods of Use Thereof HERBALSCIENCE GROUP, LLC 2010-04-22 US disclosed