SCHEMBL8498809

SCHEMBL8498809

O=C(O)CCCC(C(=O)O)(c1ccccc1Cl)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
ADRA1A P35348 2/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KIF11 P52732 1/20 0.40
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PTGFR P43088 3/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8496993 0.94 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7087863 0.94 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8498819 0.94 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4209343 0.82 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14778279 0.81 ALDH1A1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20564455 0.81 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8496808 0.80 AKR1B1 (0.41) ADRA1AKIF11ALDH1A1HPGDHTR2A
SCHEMBL20564902 0.79 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL523363 0.78 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15136026 0.77 LMNA (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2

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-0764673-B1 Process for the production of polycarbonate TEIJIN LTD (JP) 1999-11-17 EP disclosed
US-5696222-A MELT POLYCONDENSATION OF AN AROMATIC DIHYDROXY COMPOUND AND DIPHENYLCARBONATE, THEN ADDING A SPECIFIC CARBONATE OR CARBOCYCLIC ESTER TO FORM TERMINAL BLOCKED POLYCARBONATE TEIJIN LIMITED (JP) 1997-12-09 US disclosed
EP-0764673-A2 Process for the production of polycarbonate TEIJIN LIMITED (JP) 1997-03-26 EP disclosed