SCHEMBL7778762

SCHEMBL7778762

C=C(C)C(=O)OC.O=C1CCCCCO1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
CA9 Q16790 1/20 0.52
ALDH1A1 P00352 3/20 0.48
PGR P06401 2/20 0.35
FKBP4 Q02790 3/20 0.32
TSHR P16473 2/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP2D6 P10635 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
Butyrolactone SCHEMBL27965320 0.93 ALDH1A1 (0.52) CA1CA9ALDH1A1TSHRKMT2A
SCHEMBL424253 0.87 CA1 (0.52) CA1CA9ALDH1A1PGRFKBP4
SCHEMBL17867649 0.86 CA1 (0.50) CA1CA9ALDH1A1PGRFKBP4
SCHEMBL31483534 0.84 CA1 (0.48) CA1CA9ALDH1A1PGRFKBP4
SCHEMBL28461724 0.83 CA1 (0.47) CA1CA9ALDH1A1PGRTSHR
Methacrylic Acid SCHEMBL5815522 0.83 CA1 (0.59) CA1CA9ALDH1A1PGRFKBP4
Methacrylic Acid SCHEMBL36254 0.83 CA1 (0.59) CA1CA9ALDH1A1PGRFKBP4
Methacrylic Acid SCHEMBL326715 0.83 CA1 (0.59) CA1CA9ALDH1A1PGRFKBP4
SCHEMBL28038048 0.83 CA1 (0.59) CA1CA9ALDH1A1PGRFKBP4
Acetic Acid Methyl Ester SCHEMBL4875961 0.83 CA1 (0.64) CA1CA9ALDH1A1PGRFKBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107496983-A A kind of artificial intervertebral disk based on polymethyl methacrylate and preparation method thereof 巩天星 2017-12-22 CN claimed
CN-107496983-A A kind of artificial intervertebral disk based on polymethyl methacrylate and preparation method thereof 巩天星 2017-12-22 CN disclosed
CN-107496983-A A kind of artificial intervertebral disk based on polymethyl methacrylate and preparation method thereof 巩天星 2017-12-22 CN disclosed
EP-0606096-B1 OO-t-alkyl O-polycaprolactone monoperoxycarbonates ATOFINA CHEM INC (US) 2001-09-12 EP disclosed
EP-0606096-A1 OO-t-alkyl O-polycaprolactone monoperoxycarbonates ELF ATOCHEM NORTH AMERICA, INC. (US) 1994-07-13 EP disclosed
US-5314970-A Block and graft copolymers; compatibilizing agents ELF ATOCHEM NORTH AMERICA, INC. (US) 1994-05-24 US disclosed