SCHEMBL7633277

SCHEMBL7633277

O=C1CCCC/C=C/CCCCC(=O)OCCO1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.61
CA9 Q16790 2/20 0.61
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 2/20 0.36
SHH Q15465 3/20 0.36
GLS O94925 2/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL7633285 1.00 CA1 (0.61) CA1CA9ALDH1A1LMNATP53
SCHEMBL8913344 0.93 CA1 (0.58) CA1CA9ALDH1A1LMNATP53
SCHEMBL21983880 0.91 CA1 (0.70) CA1CA9ALDH1A1LMNATP53
SCHEMBL22759100 0.91 CA1 (0.70) CA1CA9ALDH1A1LMNATP53
SCHEMBL21273866 0.91 CA1 (0.62) CA1CA9ALDH1A1LMNATP53
SCHEMBL23438526 0.91 CA1 (0.70) CA1CA9ALDH1A1LMNATP53
SCHEMBL21886528 0.91 CA1 (0.70) CA1CA9ALDH1A1LMNATP53
SCHEMBL22734494 0.91 CA1 (0.62) CA1CA9ALDH1A1LMNATP53
SCHEMBL20590515 0.91 CA1 (0.56) CA1CA9ALDH1A1LMNATP53
SCHEMBL21273865 0.91 CA1 (0.62) CA1CA9ALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975622-B1 SELECTIVE OLEFIN METATHESIS OF BIFUNCTIONAL OR POLYFUNCTIONAL SUBSTRATES IN COMPRESSED CARBON DIOXIDE AS REACTION MEDIUM STUDIENGESELLSCHAFT KOHLE MBH (DE) 2002-10-09 EP disclosed
US-6348551-B1 CATALYTIC CYCLIZATION OF ALKENES AND ALKYNES; ESTERIFICATION, LACTONIZATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2002-02-19 US disclosed
EP-0975622-A1 SELECTIVE OLEFIN METATHESIS OF BIFUNCTIONAL OR POLYFUNCTIONAL SUBSTRATES IN COMPRESSED CARBON DIOXIDE AS REACTION MEDIUM Studiengesellschaft Kohle mbH (DE) 2000-02-02 EP disclosed
WO-1998047891-A1 SELECTIVE OLEFIN METATHESIS OF BIFUNCTIONAL OR POLYFUNCTIONAL SUBSTRATES IN COMPRESSED CARBON DIOXIDE AS REACTION MEDIUM STUDIENGESELLSCHAFT KOHLE MBH (DE) 1998-10-29 WO disclosed