SCHEMBL20146983

SCHEMBL20146983

CCCSC(C)(C)CC(N)=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
LMNA P02545 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL12312189 0.77 CES2 (0.33) TDP1
SCHEMBL10211386 0.75 TSHR (0.36) TDP1LMNAHSD17B10
SCHEMBL6537062 0.74 ALDH1A1 (0.32) TDP1LMNAHSD17B10
SCHEMBL21166455 0.74 TDP1 (0.30) TDP1
SCHEMBL15219030 0.73 TDP1 (0.36) TDP1NOS3NOS1NOS2LMNA
SCHEMBL13765285 0.72
SCHEMBL20082269 0.69
SCHEMBL29071851 0.68 LMNA (0.38) TDP1NOS3NOS1NOS2LMNA
SCHEMBL8709491 0.68 HMGCR (0.55) TDP1LMNAHSD17B10
SCHEMBL12040342 0.68

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-2673000-B1 POLYMER-CARBOHYDRATE-LIPID CONJUGATES WU NIAN (US) 2018-05-16 EP disclosed