SCHEMBL9149708

SCHEMBL9149708

COC(=O)c1ccc(OCC2COC(C)(C)O2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 1/20 0.45
CYP3A4 P08684 1/20 0.44
MAPK14 Q16539 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 2/20 0.43
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
TP53 P04637 1/20 0.41

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
SCHEMBL1587316 0.89 MAPK14 (0.44) MAPTSMN1; SMN2MAPK1MAPK14L3MBTL1
SCHEMBL1587319 0.89 MAPK14 (0.44) MAPTSMN1; SMN2MAPK1MAPK14L3MBTL1
SCHEMBL4012285 0.88 L3MBTL1 (0.47) MAPTSMN1; SMN2MAPK14L3MBTL1LMNA
SCHEMBL1684530 0.87 RAB9A (0.45) MAPTRAB9ASMN1; SMN2MAPK1CYP3A4
SCHEMBL1684533 0.87 RAB9A (0.45) MAPTRAB9ASMN1; SMN2MAPK1CYP3A4
SCHEMBL7768491 0.87 CA2 (0.42) MAPK14LMNACA2
SCHEMBL27548659 0.87 CA2 (0.42) MAPK14LMNACA2
SCHEMBL1966013 0.87 CA2 (0.43) RAB9ASMN1; SMN2MAPK1CYP3A4MAPK14
SCHEMBL21197731 0.87 CA2 (0.43) RAB9ASMN1; SMN2MAPK1CYP3A4MAPK14
SCHEMBL1964361 0.87 CA2 (0.43) RAB9ASMN1; SMN2MAPK1CYP3A4MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5395910-A Photostable polymers AKZO NOBEL N.V. (NL) 1995-03-07 US disclosed
EP-0550105-A2 Liquid-crystalline polyurethanes, compositions of said liquid-crystalline polyurethanes, and a device for optical data storage comprising a liquid-crystalline polyurethane Akzo Nobel N.V. (NL) 1993-07-07 EP disclosed