SCHEMBL10806809

SCHEMBL10806809

C=C=CC(CC(C)C(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 16/20 0.45
▸ CTSS P25774 5/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CYP2D6 P10635 1/20 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
SCHEMBL10805594 0.79 CTSK (0.47) CTSKCTSS
SCHEMBL15110725 0.76 CA1 (0.49) CTSKCTSSCTSLCTSBCA1
SCHEMBL10806402 0.75 CTSK (0.46) CTSKCA1CA2CA7
SCHEMBL4801958 0.75 CTSK (0.46) CTSKCTSSCTSLCTSBCA1
SCHEMBL7349501 0.75 CTSK (0.47) CTSKCTSSCTSLCTSBCA1
SCHEMBL1319454 0.74 NAALAD2 (0.59) CTSKCTSSCTSLCTSBCA1
SCHEMBL20745305 0.74 NAALAD2 (0.59) CTSKCTSSCTSLCTSBCA1
SCHEMBL7066210 0.74 NAALAD2 (0.59) CTSKCTSSCTSLCTSBCA1
SCHEMBL13263380 0.74 NAALAD2 (0.59) CTSKCTSSCTSLCTSBCA1
SCHEMBL18560556 0.74 NAALAD2 (0.59) CTSKCTSSCTSLCTSBCA1

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
EP-0134481-B1 GAMMA-ALLENYL-GAMMA-AMINOBUTYRIC ACIDS SYNTEX (U.S.A.) INC. (US) 1987-12-16 — — EP claimed
Send feedback