SCHEMBL11080335

SCHEMBL11080335

CC(C)NC(=O)OCC1(CC=O)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.39
CTSL P07711 4/20 0.35
CTSS P25774 4/20 0.35
CTSB P07858 1/20 0.33
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
NFKB1 P19838 1/20 0.32
ADRA1A P35348 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 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
SCHEMBL11100971 0.86 HRH3 (0.37) CTSKCTSLCTSSCTSB
SCHEMBL11071873 0.81 CTSK (0.32) CTSKCTSLCTSSCTSB
SCHEMBL11081472 0.77 ACHE (0.47)
SCHEMBL11080332 0.73 MME (0.37) CTSKCTSLCTSSTSHRLMNA
SCHEMBL17032828 0.72 ACACB (0.38) CTSKCTSLCTSSCTSBTSHR
SCHEMBL17050211 0.70 TSHR (0.36) CTSKCTSLCTSSCTSBTSHR
SCHEMBL11078191 0.70 HRH3 (0.32) CTSK
SCHEMBL4687134 0.70
SCHEMBL13769013 0.70
SCHEMBL11100977 0.70 HRH3 (0.39) CTSKCTSLCTSSCTSB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0026369-B1 CARBAMATES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1984-08-08 EP disclosed
EP-0026369-A2 Carbamates, their preparation and pharmaceutical compositions containing them BASF Aktiengesellschaft (DE) 1981-04-08 EP disclosed