SCHEMBL18697940

SCHEMBL18697940

CCCC(C)(C)OCCC(C)(C)NC(=O)c1ccc(B(O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 6/20 0.42
▸ POLB P06746 1/20 0.37
▸ HTT P42858 1/20 0.34
▸ PLK1 P53350 1/20 0.33
▸ NAMPT P43490 1/20 0.33

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
SCHEMBL19233211 0.87 TRPV1 (0.46) TRPV1POLBHTTNAMPT
SCHEMBL14314081 0.81 TRPV1 (0.39) TRPV1POLB
SCHEMBL20031971 0.74 HDAC3 (0.45) POLB
SCHEMBL24600209 0.74 PLK1 (0.46) POLBPLK1
SCHEMBL13901420 0.74 POLB (0.54) POLB
SCHEMBL20932834 0.73 POLB (0.39) POLB
SCHEMBL25893618 0.73 TRPV1 (0.45) TRPV1
SCHEMBL16592004 0.72 ALDH1A1 (0.42) HTT
SCHEMBL1961940 0.71 TRPV1 (0.58) TRPV1HTT
SCHEMBL22508202 0.70 ALDH1A1 (0.41) —

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-9610355-B2 Carrier nanoparticles and related compositions, methods and systems CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-04-04 — — US disclosed
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