SCHEMBL5136187

SCHEMBL5136187

C=C(OCCCCC)OC(=C)OCCCCC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
TSHR P16473 5/20 0.52
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HCAR2 Q8TDS4 2/20 0.41
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
FAAH O00519 1/20 0.38

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
SCHEMBL29243125 0.98 NAAA (0.56) NAAATSHRCA12CA1CA2
SCHEMBL29093107 0.98 NAAA (0.56) NAAATSHRCA12CA1CA2
SCHEMBL3266107 0.92 ALDH1A1 (0.48) NAAATSHRCA12CA1CA2
SCHEMBL5670479 0.84 LMNA (0.38) NAAATSHRALDH1A1HCAR2HPGD
SCHEMBL9178365 0.81 ALDH1A1 (0.52) NAAATSHRCA12CA1CA2
SCHEMBL8571088 0.81 TSHR (0.53) NAAATSHRCA12CA1CA2
SCHEMBL16382184 0.78 NAAA (0.56) NAAATSHRCA12CA1CA2
SCHEMBL12624782 0.78 NAAA (0.56) NAAATSHRCA12CA1CA2
SCHEMBL28513647 0.78 ALDH1A1 (0.61) NAAATSHREPHX1ALDH1A1HCAR2
SCHEMBL9446392 0.78 TSHR (0.46) NAAATSHRCA12CA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425588-B2 Polymer composition including functional material, method for production of the same, inkjet ink, and image formation method and image formation apparatus using the same CANON KABUSHIKI KAISHA (JP) 2008-09-16 US disclosed
US-20050222296-A1 Composition of polymer having functional substance encapsulated, process for producing the same, ink-jet recording ink, method of forming image with the same, and image-forming apparatus CANON KABUSHIKI KAISHA (JP) 2005-10-06 US disclosed
US-5147727-A Aryloxy polyvinyl ethers ISP INVESTMENTS INC. (US) 1992-09-15 US disclosed
US-5082874-A Aryloxy polyvinyl ethers ISP INVESTMENTS INC. (US) 1992-01-21 US disclosed