SCHEMBL14845775

SCHEMBL14845775

C=C(CCCCCC)c1ccc(CNCCCN=N)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.35
▸ CA2 P00918 4/20 0.35
▸ CA9 Q16790 4/20 0.35
▸ S1PR1 P21453 3/20 0.35
▸ S1PR3 Q99500 3/20 0.35
▸ S1PR2 O95136 2/20 0.35
▸ LPAR2 Q9HBW0 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TYR P14679 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL14823445 0.74 CA12 (0.42) CA12CA2CA9TSHRMAPT
SCHEMBL13617936 0.69 S1PR1 (0.54) S1PR1S1PR3S1PR2LPAR2THRA
SCHEMBL20313356 0.69 CA12 (0.51) CA12CA2CA9TSHRMEN1
SCHEMBL29173835 0.67 S1PR1 (0.52) CA12CA2CA9S1PR1S1PR3
SCHEMBL29173822 0.67 S1PR1 (0.52) CA12CA2CA9S1PR1S1PR3
SCHEMBL30746857 0.67 S1PR1 (0.52) CA12CA2CA9S1PR1S1PR3
SCHEMBL29173826 0.67 S1PR1 (0.52) CA12CA2CA9S1PR1S1PR3
SCHEMBL20313355 0.65 CA12 (0.47) CA12CA2CA9TSHRMEN1
SCHEMBL27944125 0.64 HSD17B3 (0.62) TP53CYP3A4KDM4EHSD17B10HSD17B3
SCHEMBL28209780 0.64 HSD17B3 (0.62) TP53CYP3A4KDM4EHSD17B10HSD17B3

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-8415446-B2 Cardanol based dimers and uses therefor Carolite Corporation (US) 2013-04-09 — — US disclosed
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