SCHEMBL8628066

SCHEMBL8628066

CC(C)(C)c1c(O)ccc(CCC(=O)NCCCNC(=O)CCc2ccc(O)c(C(C)(C)C)c2C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
HPGD P15428 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MTNR1A P48039 1/20 0.39

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
SCHEMBL9489697 0.96 KMT2A (0.43) POLBKMT2AGAAHDAC3HDAC4
SCHEMBL5690773 0.82 GAA (0.49) POLBKMT2AGAAMAPTKDM4E
SCHEMBL55627 0.79 POLB (0.47) POLBALDH1A1
SCHEMBL30337061 0.79 POLB (0.47) POLBALDH1A1
SCHEMBL7247782 0.78 CNR1 (0.39) POLBKMT2AGAAHPGDMAPT
Methane SCHEMBL9285119 0.77 POLB (0.46) POLBALDH1A1
SCHEMBL7754793 0.77 TP53 (0.42) POLBMTNR1AALDH1A1SMN1; SMN2
SCHEMBL9677227 0.73 KMT2A (0.59) POLBKMT2AGAAHPGDTRPV1
SCHEMBL27424171 0.72 CYP4F2 (0.50) POLBGAAHPGDHSD17B10KDM4E
SCHEMBL9074096 0.72 TYR (0.50) KMT2AGAAHPGDMEN1MAPT

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-0675108-B1 Thioether substituted hydroxybenzophenones and stabilized compositions CIBA GEIGY AG (CH) 1998-06-10 EP disclosed