SCHEMBL3793373

SCHEMBL3793373

CC(C)c1cccc(COCC(O)CC2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CTSD P07339 1/20 0.40
BACE1 P56817 1/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
TACR1 P25103 5/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL3789593 0.80 CA1 (0.60) POLBKMT2AMEN1CA1CA2
SCHEMBL10121249 0.77 TACR1 (0.43) CTSDBACE1TACR1
SCHEMBL8116441 0.73 CA1 (0.55) POLBCA1CA2CA7CA9
SCHEMBL8116438 0.73 CA1 (0.55) POLBCA1CA2CA7CA9
SCHEMBL3805228 0.73 PTGER3 (0.37) TDP1KMT2AMEN1CTSDBACE1
SCHEMBL5987241 0.72 CTSD (0.51) TDP1CTSDBACE1CA1CA2
SCHEMBL10154614 0.72 KDM4E (0.41) TDP1CTSDBACE1CA1CA2
SCHEMBL14121701 0.72 HRH3 (0.42) TDP1KMT2AMEN1CTSDBACE1
SCHEMBL22785881 0.71 TACR1 (0.48) KMT2ACA1CA2CA7CA9
SCHEMBL16919633 0.69 HDAC4 (0.41) TDP1CTSDBACE1CA1CA2

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