SCHEMBL21658646

SCHEMBL21658646

C=CC(C)CC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.33
CYP1A2 P05177 1/20 0.33
CTSL P07711 3/20 0.32
CTSB P07858 3/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
LTA4H P09960 1/20 0.31
CTSH P09668 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
SCHEMBL20630189 0.98 CTSK (0.31) CTSKCYP1A2
SCHEMBL24258399 0.78 CPB2 (0.33)
SCHEMBL11449274 0.77 CTSK (0.40) CTSKCTSLCTSBADH1BADH1C
SCHEMBL12216588 0.77 CTSK (0.40) CTSKCTSLCTSBADH1BADH1C
SCHEMBL7787843 0.77 CTSK (0.40) CTSKCTSLCTSBADH1BADH1C
SCHEMBL22916593 0.77
SCHEMBL12216591 0.74 CTSK (0.38) CTSKCTSLCTSBADH1BADH1C
SCHEMBL12216583 0.74 CTSK (0.38) CTSKCTSLCTSBADH1BADH1C
SCHEMBL6748871 0.74 CTSK (0.32) CTSKCYP1A2CTSLCTSBIDO1
SCHEMBL735436 0.73 CYP1A2 (0.37) CTSKCYP1A2CTSLCTSBLTA4H

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-2020023871-A1 QUINONE-CONTAINING CONJUGATES PROMEGA CORPORATION (US) 2020-01-30 WO disclosed