SCHEMBL8285682

SCHEMBL8285682

O=C(NCC1CCC(COc2cc(F)cc(F)c2)CC1)c1ccc(O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.51
MAPK14 Q16539 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MMP13 P45452 1/20 0.44
HDAC6 Q9UBN7 2/20 0.43
MLYCD O95822 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
AR P10275 1/20 0.43
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
CYP2C9 P11712 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL14451499 0.89 PARP15 (0.50) MMP13NR1H4ARPARP15PARP10
SCHEMBL8285679 0.89 PARP15 (0.50) MMP13NR1H4ARPARP15PARP10
SCHEMBL5518008 0.84 KAT6A (0.45) KAT6ANR1H4PARP15PARP10PARP2
SCHEMBL5518002 0.84 KAT6A (0.45) KAT6ANR1H4PARP15PARP10PARP2
SCHEMBL5518006 0.84 KAT6A (0.45) KAT6ANR1H4PARP15PARP10PARP2
SCHEMBL5523321 0.84 HDAC3 (0.51) MEN1KMT2AHDAC6NR1H4AR
SCHEMBL5521806 0.84 HDAC3 (0.51) MEN1KMT2AHDAC6NR1H4AR
SCHEMBL5521812 0.84 HDAC3 (0.51) MEN1KMT2AHDAC6NR1H4AR
SCHEMBL5513674 0.82 PDE4A (0.54) MMP13NR1H4PARP15PARP10PARP2
SCHEMBL5513669 0.82 PDE4A (0.54) MMP13NR1H4PARP15PARP10PARP2

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
WO-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 WO disclosed