SCHEMBL7435306

SCHEMBL7435306

COc1cc(Cl)ccc1CCCOCCO

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.43
PTGES2 Q9H7Z7 9/20 0.43
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
TRPV4 Q9HBA0 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
SCHEMBL7429609 0.88 POLB (0.40) LMNAPOLB
SCHEMBL1838256 0.86 ACLY (0.50) ACLYPTGES2POLBKDM4CTRPV4
SCHEMBL6239161 0.82 PTGES2 (0.46) ACLYPTGES2LMNAPOLBKDM4C
SCHEMBL20761848 0.76 HTT (0.46) ACLYPTGES2ALDH1A1LMNATRPV4
SCHEMBL1836125 0.76 FFAR4 (0.57) ACLYPTGES2POLBKDM4CFFAR4
SCHEMBL29825398 0.76 PDCD1 (0.50) PTGES2ALDH1A1LMNAPOLBKDM4C
SCHEMBL1679612 0.76 PDCD1 (0.50) PTGES2ALDH1A1LMNAPOLBKDM4C
SCHEMBL16791808 0.75 POLB (0.43) ACLYLMNAPOLBTRPV4
SCHEMBL7486627 0.75 KDM4E (0.39) ALDH1A1POLB
SCHEMBL13743842 0.75 ALDH1A1 (0.44) ALDH1A1LMNAKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0046590-A2 Phen(alk)oxy-substituted oxirane-carboxylic acids, process for their preparation, their use and drugs containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-03-03 EP disclosed