SCHEMBL15798293

SCHEMBL15798293

CC1(C)C2CC=C(COCCO)C1C2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.51
▸ KDM4E B2RXH2 3/20 0.49
▸ TDP1 Q9NUW8 3/20 0.49
▸ TSHR P16473 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ MAPK1 P28482 2/20 0.47
▸ POLB P06746 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CXCR3 P49682 10/20 0.44
▸ SCN9A Q15858 1/20 0.43

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
SCHEMBL15442583 0.87 KCNH2 (0.55) KCNH2KDM4ETDP1TSHRHTT
SCHEMBL15445234 0.83 KCNH2 (0.55) KCNH2KDM4ETDP1TSHRHTT
SCHEMBL2893808 0.80 KCNH2 (0.49) KCNH2KDM4ETDP1TSHRHTT
Nopol SCHEMBL5309650 0.79 TSHR (0.55) KCNH2KDM4ETDP1TSHRHTT
Nopol SCHEMBL10687292 0.79 TSHR (0.55) KCNH2KDM4ETDP1TSHRHTT
Nopol SCHEMBL114153 0.79 TSHR (0.55) KCNH2KDM4ETDP1TSHRHTT
Nopol SCHEMBL9723502 0.79 TSHR (0.55) KCNH2KDM4ETDP1TSHRHTT
Nopol SCHEMBL8610441 0.79 TSHR (0.55) KCNH2KDM4ETDP1TSHRHTT
Nopol SCHEMBL17187721 0.79 TSHR (0.55) KCNH2KDM4ETDP1TSHRHTT
SCHEMBL2894649 0.79 KCNH2 (0.54) KCNH2KDM4ETDP1TSHRHTT

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-2014091185-A1 USE OF A COMPOUND TO CONTROL INSECTS SWANSEA UNIVERSITY (GB) 2014-06-19 — — WO disclosed
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