SCHEMBL10654587

SCHEMBL10654587

O=C(C(c1ccc(F)cc1)c1cc(O)c(O)cc1O)C(c1ccc(F)cc1)c1cc(O)c(O)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
LMNA P02545 4/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL27629361 0.83 LMNA (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10652795 0.82 LMNA (0.40) LMNAHTTALDH1A1CNR2CES2
SCHEMBL10654447 0.81 HDAC4 (0.53) HDAC4HDAC7HDAC5CNR2CES2
SCHEMBL10656242 0.79 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28289387 0.78 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10652757 0.71 ACP3 (0.41)
SCHEMBL27545340 0.71 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL485062 0.70 HSP90AA1 (0.42) LMNAHTTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL485234 0.69 MAPT (0.45) LMNAHTTMAPTKDM4EALOX15
SCHEMBL28367639 0.69 HDAC3 (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0267155-A2 Bicyclic compounds Zyma SA (CH) 1988-05-11 EP disclosed