SCHEMBL4258267

SCHEMBL4258267

O=C1CC2(CCN(C(=O)c3cccc(-c4cc[nH]n4)c3)CC2)Oc2cc(Cl)c(F)cc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.47
ACACA Q13085 3/20 0.47
HDAC3 O15379 3/20 0.45
HDAC4 P56524 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45

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
SCHEMBL4260315 0.97 ACACB (0.48) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL4261998 0.93 ACACB (0.50) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL4261368 0.90 ACACB (0.49) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL4504972 0.88 ACACB (0.49) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL4258719 0.87 ACACB (0.57) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL4509645 0.87 ACACB (0.47) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL4521164 0.87 ACACB (0.49) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL4496352 0.86 ACACB (0.56) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL4505000 0.85 ACACB (0.55) ACACBACACA
SCHEMBL4511126 0.84 HDAC3 (0.56) ACACBACACAHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097420-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Products Inc. (US) 2009-09-09 EP disclosed
WO-2008065508-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER PRODUCTS INC. (US) 2008-06-05 WO disclosed