SCHEMBL11087205

SCHEMBL11087205

CCOC(=O)NOCCOCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 3/20 0.38
MAPK1 P28482 1/20 0.37
ACHE P22303 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
GAA P10253 2/20 0.35
ALOX15 P16050 1/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
HSD17B10 Q99714 2/20 0.34
CNR2 P34972 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
EPHX2 P34913 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
SCHEMBL2762290 0.88 ACHE (0.41) ALDH1A1KMT2AACHEGAAALOX15
SCHEMBL31120920 0.87 GAA (0.37) ALDH1A1KMT2ATHRBTSHRMAPK1
SCHEMBL29063181 0.79 GAA (0.39) ALDH1A1KMT2ATSHRGAAALOX15
SCHEMBL541144 0.78 GAA (0.42) ALDH1A1MAPK1ACHEGAAALOX15
SCHEMBL28583327 0.76 TDP1 (0.42) KMT2AMEN1THRBHTTMAPT
SCHEMBL5494911 0.76 TDP1 (0.42) KMT2AMEN1THRBHTTMAPT
SCHEMBL3329784 0.76 TDP1 (0.42) KMT2AMEN1THRBHTTMAPT
Hydrochloric Acid SCHEMBL10556812 0.76 GAA (0.41) ALDH1A1MAPK1ACHEGAAALOX15
SCHEMBL10773332 0.76 EPHX1 (0.44) ALDH1A1ACHEGAAALOX15MGAM
SCHEMBL27633101 0.76 CYP1A2 (0.42) ALDH1A1KMT2AMAPK1GAAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117279884-A Naphthalene ring-containing compound, pharmaceutical composition containing naphthalene ring-containing compound and application of naphthalene ring-containing compound 江苏亚虹医药科技股份有限公司 2023-12-22 CN disclosed
US-4439585-A Polyurethane diacrylate compositions as carrier for pharmacological agents TYNDALE PLAINS-HUNTER, LTD. (US) 1984-03-27 US disclosed
US-4439583-A Polyurethane diacrylate compositions useful in forming canulae TYNDALE PLAINS-HUNTER, LTD. (US) 1984-03-27 US disclosed
US-4439584-A Gas and ion permeable membranes formed of polyurethane diacrylate compositions TYNDALE PLAINS-HUNTER, LTD. (US) 1984-03-27 US disclosed
US-4424305-A Surgical implants formed of polyurethane diacrylate compositions TYNDALE PLAINS-HUNTER, LTD. (US) 1984-01-03 US disclosed
US-4408023-A HYDROPHILIC, RESILIENT TYNDALE PLAINS-HUNTER, LTD. (US) 1983-10-04 US disclosed
US-4359558-A REACTING A POLYURETHANE WITH AN ETHER ESTER OF ACRYLIC OR METHACRYLIC ACID TYNDALE PLAINS-HUNTER, LTD. (US) 1982-11-16 US disclosed