SCHEMBL8776614

SCHEMBL8776614

CCOC(=O)C(C)=CO.O=C1CCCCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
PGR P06401 2/20 0.34
GLO1 Q04760 1/20 0.33
ATM Q13315 1/20 0.32
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 3/20 0.31
MAPT P10636 3/20 0.31
KMT2A Q03164 3/20 0.31
POLB P06746 2/20 0.31
LMNA P02545 2/20 0.31
PLIN1 O60240 1/20 0.31
PLIN5 Q00G26 1/20 0.31
ABHD5 Q8WTS1 1/20 0.31
USP2 O75604 1/20 0.30
IDE P14735 1/20 0.30
TNNI3 P19429 1/20 0.30
TNNT2 P45379 1/20 0.30
TNNC1 P63316 1/20 0.30

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
SCHEMBL28461724 0.83 CA1 (0.47) CA1CA9PGRGLO1ATM
SCHEMBL1483801 0.80 CA1 (0.47) CA1CA9PGRATMALDH1A1
SCHEMBL5708175 0.80 CA1 (0.47) CA1CA9PGRATMALDH1A1
SCHEMBL9732335 0.79 CA1 (0.46) CA1CA9ALDH1A1MAPTLMNA
Urethane SCHEMBL934505 0.78 CA1 (0.52) CA1CA9PGRATMALDH1A1
SCHEMBL6934881 0.78 CA1 (0.44) CA1CA9PGRATMALDH1A1
Caprolactam SCHEMBL10631090 0.78 FKBP5 (0.44) GLO1ALDH1A1GAAMEN1MAPT
Acrylic Acid Ethyl Ester SCHEMBL7637636 0.77 CA1 (0.47) CA1CA9PGRATMALDH1A1
Acrylic Acid Ethyl Ester SCHEMBL27769537 0.77 CA1 (0.47) CA1CA9PGRATMALDH1A1
Urethane SCHEMBL17373955 0.77 CA1 (0.50) CA1CA9PGRATMALDH1A1

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
EP-0533161-B1 Gasket with sealing layer NIPPON REINZ CO LTD (JP) 1997-12-03 EP disclosed
EP-0533161-A1 Gasket with sealing layer Nippon Reinz Co.,Ltd. (JP) 1993-03-24 EP disclosed