SCHEMBL25753887

SCHEMBL25753887

CC1=C(CCCC(=O)NCCO)C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
LMNA P02545 4/20 0.45
PKM P14618 2/20 0.45
ALDH1A1 P00352 5/20 0.45
HTT P42858 4/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
APAF1 O14727 2/20 0.45
MITF O75030 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 2/20 0.44
TDP2 O95551 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 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
SCHEMBL25753979 0.95 ALDH1A1 (0.47) HDAC2HDAC6LMNAALDH1A1HTT
SCHEMBL21940137 0.88 HDAC2 (0.51) HDAC2HDAC6LMNAPKMALDH1A1
SCHEMBL4451690 0.88 HDAC2 (0.48) HDAC2HDAC6LMNAPKMALDH1A1
SCHEMBL25753852 0.84 LMNA (0.48) HDAC2HDAC6LMNAPKMALDH1A1
SCHEMBL21878898 0.84 TRPV1 (0.50) HDAC2HDAC6LMNAPKMALDH1A1
SCHEMBL1783475 0.83 CNR1 (0.40) LMNAALDH1A1HTTMAPTTDP1
SCHEMBL25753851 0.82 RECQL (0.49) HDAC2HDAC6LMNAPKMALDH1A1
SCHEMBL21939615 0.81 F13A1 (0.49) HDAC2HDAC6ALDH1A1NPC1RAB9A
SCHEMBL21939844 0.80 F13A1 (0.51) HDAC2HDAC6ALDH1A1MAPTNPC1
SCHEMBL13649358 0.80 MAPT (0.53) LMNAPKMALDH1A1HTTKDM4E

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-3615502-B1 THERAPEUTIC COMPOUNDS AND METHODS UNIV TASMANIA (AU) 2023-06-21 EP disclosed