SCHEMBL6133045

SCHEMBL6133045

CC1CN(c2ccc(-c3ccc(N4CCN(c5ccc(C(=O)On6nnc7ccccc76)cc5)CC4)cc3)cc2)CC(C)O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.53
HDAC4 P56524 4/20 0.53
HDAC1 Q13547 4/20 0.53
HDAC7 Q8WUI4 4/20 0.53
HDAC2 Q92769 4/20 0.53
HDAC10 Q969S8 4/20 0.53
HDAC11 Q96DB2 4/20 0.53
HDAC8 Q9BY41 4/20 0.53
HDAC6 Q9UBN7 4/20 0.53
HDAC9 Q9UKV0 4/20 0.53
HDAC5 Q9UQL6 4/20 0.53
SIRT2 Q8IXJ6 4/20 0.46
FAAH O00519 3/20 0.42
MGLL Q99685 3/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GFER P55789 1/20 0.39
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 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
SCHEMBL6133205 1.00 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6135307 1.00 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6133043 1.00 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6132673 0.97 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6132669 0.97 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6132521 0.90 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6374055 0.85 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6132322 0.84 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6134555 0.83 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6134448 0.83 HDAC3 (0.52) 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
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed