SCHEMBL11239152

SCHEMBL11239152

COC(C)CC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.42
CTSL P07711 7/20 0.40
CTSB P07858 7/20 0.40
CTSH P09668 5/20 0.39
LTA4H P09960 1/20 0.33
CYP1A2 P05177 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
SCHEMBL14537236 0.98 CTSK (0.45) CTSKCTSLCTSBCTSHLTA4H
SCHEMBL191969 0.82 CTSK (0.45) CTSKCTSLCTSBCTSHCYP1A2
SCHEMBL192070 0.80 CTSK (0.47) CTSKCTSLCTSBCTSHCYP1A2
SCHEMBL11231610 0.80 CTSK (0.47) CTSKCTSLCTSBCTSHCYP1A2
SCHEMBL7516459 0.79 CPN1 (0.39) CTSK
SCHEMBL11239150 0.78 CTSK (0.41) CTSKCTSLCTSBCTSHCYP1A2
SCHEMBL10430388 0.78 CTSK (0.41) CTSKCTSLCTSBCTSHCYP1A2
SCHEMBL13570038 0.78 CTSL (0.38) CTSKCTSLCTSBCTSH
SCHEMBL13183710 0.76 CTSK (0.40) CTSKCTSLCTSBCTSHCYP1A2
SCHEMBL15279313 0.76 CTSK (0.45) CTSKCTSLCTSBCTSH

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-4332614-A HALOACETANILIDE ETHERS MONSANTO COMPANY (US) 1982-06-01 US disclosed