SCHEMBL8399549

SCHEMBL8399549

O=C(OCCCN(Cc1ccccc1)Cc1ccccc1)OCCCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.54
HDAC1 Q13547 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
NCOR2 Q9Y618 2/20 0.54
SCN1A P35498 2/20 0.47
SCN2A Q99250 2/20 0.47
SCN3A Q9NY46 2/20 0.47
MAOB P27338 1/20 0.46
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44

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
Hydrochloric Acid SCHEMBL8398756 0.98 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL26908636 0.87 LMNA (0.63) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL8399726 0.83 L3MBTL1 (0.60) LMNASMN1; SMN2L3MBTL1
SCHEMBL24659270 0.82 POLB (0.47) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL2687421 0.81 LMNA (0.59) HDAC3HDAC1HDAC2HDAC8NCOR2
Hydrochloric Acid SCHEMBL8399866 0.81 SMN1; SMN2 (0.61) BCHEACHELMNASMN1; SMN2L3MBTL1
SCHEMBL21171913 0.80 SCN1A (0.57) SCN1ASCN2ASCN3AMAOBBCHE
SCHEMBL9704306 0.80 MAOB (0.59) SCN1ASCN2ASCN3AMAOBBCHE
SCHEMBL11795941 0.77 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL4974601 0.77 HDAC3 (0.61) HDAC3HDAC1HDAC2HDAC8NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748310-B1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO SPA (IT) 1999-06-02 EP disclosed
EP-0748310-A1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO S.p.A. (IT) 1996-12-18 EP disclosed
WO-1995023128-A1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO S.P.A. (IT) 1995-08-31 WO disclosed