SCHEMBL7735491

SCHEMBL7735491

CC(=O)[C@@H]1CCCC2C1CCC[C@H]2C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.41
MEN1 O00255 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
ACE P12821 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7252087 0.91 EPHX1 (0.36) PEPDMEN1KMT2AKDM4E
SCHEMBL127949 0.88 PEPD (0.48) PEPDMEN1BLMKMT2AACE
SCHEMBL29755671 0.85 PEPD (0.46) PEPDMEN1BLMKMT2AACE
SCHEMBL25575140 0.83 PEPD (0.50) PEPDMEN1BLMKMT2AACE
SCHEMBL25575137 0.83 PEPD (0.50) PEPDMEN1BLMKMT2AACE
SCHEMBL7755799 0.83 PEPD (0.50) PEPDMEN1BLMKMT2AACE
SCHEMBL26181646 0.83 PEPD (0.50) PEPDMEN1BLMKMT2AACE
SCHEMBL11896394 0.83 PEPD (0.45) PEPDMEN1BLMKMT2A
SCHEMBL1409920 0.83 MEN1 (0.44) PEPDMEN1BLMKMT2AKDM4E
SCHEMBL4612156 0.80 CA1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0990634-B1 ACYLATING AGENTS, ACYLATION METHOD WITH THE USE OF THE SAME AND ADAMANTANE DERIVATIVES DAICEL CHEM (JP) 2013-04-10 EP disclosed
US-6429314-B1 USING 1,2-DICARBONYL DERIVATIVE OR ITS HYDROXY REDUCTIVE, OXYGEN, COBALT ACETATE METAL COMPOUND, AND N-HYDROXYPHTHALIMIDE OR OTHER IMIDE DERIVATIVE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-06 US disclosed
EP-0990634-A1 ACYLATING AGENTS, ACYLATION METHOD WITH THE USE OF THE SAME AND ADAMANTANE DERIVATIVES Daicel Chemical Industries, Ltd. (JP) 2000-04-05 EP disclosed