SCHEMBL7307465

SCHEMBL7307465

O=C(CCCCc1ccccc1)Nc1ccc(C(=O)Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.73
HDAC2 Q92769 4/20 0.73
HDAC3 O15379 2/20 0.73
HDAC4 P56524 2/20 0.73
HDAC7 Q8WUI4 2/20 0.73
HDAC10 Q969S8 2/20 0.73
HDAC11 Q96DB2 2/20 0.73
HDAC8 Q9BY41 2/20 0.73
HDAC6 Q9UBN7 2/20 0.73
HDAC9 Q9UKV0 2/20 0.73
HDAC5 Q9UQL6 2/20 0.73
TRPV1 Q8NER1 1/20 0.65
MAPT P10636 2/20 0.59
KDM1A O60341 2/20 0.59
ALDH1A1 P00352 2/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
ALOX15 P16050 1/20 0.59
NFKB1 P19838 1/20 0.59
MAPK1 P28482 1/20 0.59

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
SCHEMBL7319492 0.88 HDAC1 (0.77) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL28099312 0.85 MAPT (0.74) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7101981 0.84 HDAC1 (0.80) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7311087 0.84 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1996813 0.84 TRPV1 (0.75) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7102154 0.83 HDAC3 (0.70) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL17064256 0.82 TRPV1 (0.68) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8012743 0.81 TRPV1 (0.81) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7831891 0.81 HDAC1 (0.67) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8265643 0.81 TRPV1 (0.71) HDAC1HDAC2HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901465-B1 COMPOUNDS WITH ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE ACTIVITIES ITALFARMACO SPA (IT) 2000-09-27 EP disclosed
US-6034096-A Compounds with anti-inflammatory and immunosuppressive activities ITALFARMACO S.P.A. (IT) 2000-03-07 US disclosed
EP-0901465-A1 COMPOUNDS WITH ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE ACTIVITIES ITALFARMACO S.p.A. (IT) 1999-03-17 EP disclosed
WO-1997043251-A1 COMPOUNDS WITH ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE ACTIVITIES ITALFARMACO S.P.A. (IT) 1997-11-20 WO disclosed