SCHEMBL21096969

SCHEMBL21096969

O=C(O)CCCCCCCCCCCCCCC(=O)NCC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
EPHX1 P07099 3/20 0.50
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
CYP2D6 P10635 1/20 0.49
GLA P06280 2/20 0.48
KDM5A P29375 3/20 0.48
PHF8 Q9UPP1 3/20 0.48

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
SCHEMBL19227335 1.00 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8051690 1.00 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13708639 0.91 CNR1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13708638 0.91 CNR1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18102739 0.87 ALDH1A1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15444327 0.87 ALDH1A1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7555177 0.85 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3963145 0.85 FAAH (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19957328 0.85 FAAH (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20706229 0.83 CNR2 (0.48) 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-3236991-B1 FGF21 DERIVATIVES AND USES THEREOF NOVO NORDISK AS (DK) 2019-06-19 EP disclosed