SCHEMBL3788046

SCHEMBL3788046

c1ccc(COCC(CC2CC2)OCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
CA1 P00915 4/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
TACR1 P25103 2/20 0.41
POLB P06746 1/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL4535810 0.82 TSHR (0.58) TSHRCA1CA2CA7CA9
SCHEMBL3789593 0.79 CA1 (0.60) TSHRCA1CA2CA7CA9
SCHEMBL9575753 0.78 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL8904530 0.76 CA1 (0.51) TSHRCA1CA2CA7CA9
SCHEMBL828589 0.76 CA1 (0.51) TSHRCA1CA2CA7CA9
SCHEMBL4537628 0.76 CA1 (0.51) TSHRCA1CA2CA7CA9
SCHEMBL17770696 0.76 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL14814507 0.76 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL10581265 0.75 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL9845277 0.75 TSHR (0.48) TSHRCA1CA2CA7CA9

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
WO-2010145197-A1 NOVEL 6-ARYLAMINO PYRIDONE SULFONAMIDES AND 6-ARYLAMINO PYRAZINONE SULFONAMDIES AS MEK INHIBITORS CHEMIZON (BEIJING), LTD. (CN) 2010-12-23 WO disclosed