SCHEMBL17029282

SCHEMBL17029282

CCCOCCNCCCNCCCCCCCCCCN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.48
CA2 P00918 3/20 0.48
CA4 P22748 3/20 0.48
CA6 P23280 3/20 0.48
CA5A P35218 3/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA14 Q9ULX7 3/20 0.48
CA5B Q9Y2D0 3/20 0.48
F13A1 P00488 2/20 0.48
CYP1A2 P05177 2/20 0.48
ALOX15 P16050 2/20 0.48
THPO P40225 2/20 0.48
CA3 P07451 2/20 0.48
TSHR P16473 2/20 0.48
CA1 P00915 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
MTOR P42345 1/20 0.48
LMNA P02545 1/20 0.46

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
SCHEMBL9272112 0.87 DNM1 (0.48) CA12CA2CA4CA6CA5A
SCHEMBL9065706 0.86 CA12 (0.48) CA12CA2CA4CA6CA5A
SCHEMBL9807733 0.85 DNM1 (0.46) CA12CA2CA4CA6CA5A
SCHEMBL22905617 0.84 CA12 (0.50) CA12CA2CA4CA6CA5A
SCHEMBL11082792 0.82 DNM1 (0.52) CA12CA2CA4CA6CA5A
SCHEMBL9277129 0.82 DNM1 (0.52) CA12CA2CA4CA6CA5A
SCHEMBL9272717 0.82 DNM1 (0.52) CA12CA2CA4CA6CA5A
SCHEMBL9274466 0.82 DNM1 (0.52) CA12CA2CA4CA6CA5A
SCHEMBL11551001 0.82 DNM1 (0.52) CA12CA2CA4CA6CA5A
SCHEMBL28427983 0.82 TSHR (0.52) CA12CA2CA4CA6CA5A

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-9114198-B2 Biologically beneficial coatings for implantable devices containing fluorinated polymers and methods for fabricating the same ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2015-08-25 US disclosed