SCHEMBL6535956

SCHEMBL6535956

COc1ccc(OCN2CCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.58
HRH3 Q9Y5N1 2/20 0.58
POLB P06746 3/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPT P10636 2/20 0.54
PTGIR P43119 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 2/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SIGMAR1 Q99720 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL8927890 0.83 SMN1; SMN2 (0.65) HRH3POLBKDM4EALDH1A1HPGD
SCHEMBL5565916 0.82 HRH3 (0.59) LTA4HHRH3KDM4EALDH1A1KMT2A
SCHEMBL15257179 0.79 LTA4H (0.82) LTA4HHRH3POLBKDM4EMAPT
SCHEMBL14970684 0.79 LTA4H (0.82) LTA4HHRH3POLBKDM4EMAPT
SCHEMBL23475000 0.79 KDM4E (0.49) LTA4HHRH3KDM4EKMT2AMEN1
SCHEMBL12486958 0.79 LTA4H (0.58) LTA4HHRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL3163559 0.78 HRH3 (0.63) LTA4HHRH3ALDH1A1KMT2AHPGD
SCHEMBL30272620 0.78 HRH3 (0.63) LTA4HHRH3POLBKDM4EMAPT
SCHEMBL23474981 0.78 ALDH1A1 (0.55) LTA4HHRH3POLBKDM4EMAPT
SCHEMBL23474980 0.78 PSMB1 (0.50) HRH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242081-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2004-07-21 EP disclosed
EP-1001933-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2002-11-06 EP disclosed
EP-1242081-A1 CASPASES AND APOPTOSIS SmithKline Beecham Corporation (US) 2002-09-25 EP disclosed
WO-2001022966-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-05 WO disclosed
EP-1001933-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP disclosed
WO-1999006367-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-11 WO disclosed