SCHEMBL8808642

SCHEMBL8808642

CCCCCCCCCCOC(C=O)=CN(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
HCAR2 Q8TDS4 2/20 0.42
EPHX1 P07099 1/20 0.42
TSHR P16473 3/20 0.41
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FAAH O00519 1/20 0.38
DNM1 Q05193 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.37
ACHE P22303 4/20 0.37

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
SCHEMBL9699761 1.00 NAAA (0.44) NAAAHCAR2EPHX1TSHRCA12
SCHEMBL9335080 1.00 NAAA (0.44) NAAAHCAR2EPHX1TSHRCA12
SCHEMBL9699764 1.00 NAAA (0.44) NAAAHCAR2EPHX1TSHRCA12
SCHEMBL9698305 1.00 NAAA (0.44) NAAAHCAR2EPHX1TSHRCA12
SCHEMBL8808639 1.00 NAAA (0.44) NAAAHCAR2EPHX1TSHRCA12
SCHEMBL6951554 1.00 NAAA (0.44) NAAAHCAR2EPHX1TSHRCA12
SCHEMBL6951552 1.00 NAAA (0.44) NAAAHCAR2EPHX1TSHRCA12
SCHEMBL9698308 1.00 NAAA (0.44) NAAAHCAR2EPHX1TSHRCA12
SCHEMBL12888259 0.93 ATM (0.44) NAAAHCAR2EPHX1TSHRNPSR1
SCHEMBL11340785 0.85 HCAR2 (0.35) HCAR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555843-B1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KK (JP) 1997-05-14 EP disclosed
US-5354501-A Improved response and helical pitch CANON KABUSHIKI KAISHA (JP) 1994-10-11 US disclosed
EP-0555843-A1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1993-08-18 EP disclosed