SCHEMBL3092491

SCHEMBL3092491

O=C1OCCCCOC(=O)c2c3ccc1c2CCCC3

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
PGR P06401 2/20 0.39
CES1 P23141 6/20 0.39
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
CLK1 P49759 2/20 0.35
DYRK1A Q13627 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
CYP19A1 P11511 1/20 0.34
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
KCNJ1 P48048 1/20 0.31

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
SCHEMBL7155554 0.85 PARP1 (0.45) PARP1PGRCES1MAOAMAOB
SCHEMBL209122 0.84 MAOA (0.37) PARP1CES1MAOAMAOBDYRK1A
SCHEMBL976267 0.84 CA1 (0.44) PARP1PGRMAOAMAOBCLK1
SCHEMBL2168078 0.73 CA1 (0.50) PGRMAOAMAOBCA1CA9
Terephthalic Acid SCHEMBL11345704 0.72 SRD5A1 (0.41) CES1
SCHEMBL4608122 0.70 PARP1 (0.39) PARP1CES1MAOAMAOBKCNJ1
SCHEMBL210853 0.69 ALDH1A1 (0.41) MAOAMAOBCLK1DYRK1ADYRK1B
SCHEMBL28871395 0.69 PARP1 (0.42) PARP1MAOAMAOBCA1CA9
SCHEMBL24434352 0.67 MAOA (0.50) CES1MAOAMAOBCA1CA9
SCHEMBL5709796 0.67 MAOA (0.50) CES1MAOAMAOBCA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111893767-A Durable antistatic agent for polyester fabric and preparation method of polyester antistatic fabric 日华化学(中国)有限公司 2020-11-06 CN claimed
US-7799892-B2 Method of making polybutylene terephthalate and compositions and articles comprising the same SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2010-09-21 US claimed
US-20090275698-A1 Method of Making Polybutylene Terephthalate and Compositions and Articles Comprising the Same SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2009-11-05 US claimed
EP-0807644-B1 MOLDING MATERIAL AND MOLDED MOTOR MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2003-02-12 EP claimed
US-5969009-A COATING IRON CORE WITH A MOLDING MATERIAL CONTAINING A THERMOSETTING RESIN BINDER WITH AN UNSATURATED POLYESTER, AN ADDITION-POLYMERIZABLE MONOMER HAVING AN AFFINITY FOR ALKALINE SOLUTION, ALSO A LOW SHRINKAGE AGENT MATSUSHITA ELECTRIC INDUSTRIAL CO, LTD. (JP) 1999-10-19 US claimed
EP-0807644-A1 MOLDING MATERIAL AND MOLDED MOTOR MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1997-11-19 EP claimed
CN-111893767-A Durable antistatic agent for polyester fabric and preparation method of polyester antistatic fabric 日华化学(中国)有限公司 2020-11-06 CN disclosed
US-7799892-B2 Method of making polybutylene terephthalate and compositions and articles comprising the same SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2010-09-21 US disclosed
US-20090275698-A1 Method of Making Polybutylene Terephthalate and Compositions and Articles Comprising the Same SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2009-11-05 US disclosed