SCHEMBL11233856

SCHEMBL11233856

CCCCCCCCCCCCCCCCCCN(C(=O)OCC)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 3/20 0.38
DNM1 Q05193 1/20 0.38
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NAAA Q02083 1/20 0.36
DGKA P23743 1/20 0.36
CES2 O00748 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
FAAH O00519 2/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL28699564 0.86 EPHX2 (0.40) EPHX2MAPTL3MBTL1MEN1KMT2A
SCHEMBL28957336 0.86 EPHX2 (0.40) EPHX2MAPTL3MBTL1MEN1KMT2A
SCHEMBL28957338 0.86 EPHX2 (0.40) EPHX2MAPTL3MBTL1MEN1KMT2A
SCHEMBL28957319 0.86 EPHX2 (0.40) EPHX2MAPTL3MBTL1MEN1KMT2A
SCHEMBL18125067 0.85 ALDH1A1 (0.40) EPHX2MAPTL3MBTL1MEN1KMT2A
SCHEMBL11007741 0.85 EPHX2 (0.43) EPHX2MAPTL3MBTL1LMNADNM1
SCHEMBL31346605 0.85 EPHX2 (0.43) EPHX2MAPTL3MBTL1LMNADNM1
SCHEMBL28870497 0.83 EPHX2 (0.39) EPHX2MAPTL3MBTL1LMNADNM1
SCHEMBL28695122 0.83 EPHX2 (0.39) EPHX2MAPTL3MBTL1LMNADNM1
SCHEMBL28932264 0.83 EPHX2 (0.39) EPHX2MAPTL3MBTL1LMNADNM1

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
US-4339951-A Tempeature measurement and display of indicia using thermochromic polyacetylenes ALLIED CORPORATION (US) 1982-07-20 US disclosed
US-4242440-A Thermochromic polyacetylenes used in laser beam recording method ALLIED CHEMICAL CORPORATION (US) 1980-12-30 US disclosed
US-4215208-A Thermochromic polyacetylenes containing urethane groups ALLIED CHEMICAL CORPORATION (US) 1980-07-29 US disclosed