SCHEMBL11268552

SCHEMBL11268552

CC(C)(C)C1CCC(C#N)(NC(=O)CBr)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.35
CTSS P25774 5/20 0.33
CTSK P43235 5/20 0.33
CTSB P07858 4/20 0.33
CTSC P53634 2/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOD2 Q9HC29 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL11247776 0.85 CTSL (0.35) CTSLCTSSCTSKCTSBCTSC
SCHEMBL11321743 0.82 CTSS (0.33) CTSLCTSSCTSKCTSBCTSC
SCHEMBL11256458 0.80 CTSL (0.40) CTSLCTSSCTSKCTSB
SCHEMBL11253284 0.77 NPC1 (0.45) ALDH1A1TDP1
SCHEMBL11245635 0.76 CTSL (0.40) CTSLCTSSCTSKCTSBCTSC
SCHEMBL22068061 0.73 CYP1A2 (0.32)
SCHEMBL29887010 0.70 CTSK (0.41) CTSLCTSSCTSKCTSB
SCHEMBL8134226 0.69 EPHX1 (0.32)
SCHEMBL11259657 0.69 LMNA (0.42) CTSLCTSSCTSKCTSBCTSC
SCHEMBL11941321 0.69 MCL1 (0.40) CTSLCTSSCTSKCTSBCTSC

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-4335053-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1982-06-15 US disclosed