SCHEMBL8103991

SCHEMBL8103991

O=C(O)CCCCCCCN1C(=O)C(c2ccccc2)=C(c2ccccc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.56
▸ PTGS2 P35354 4/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ PTGIR P43119 4/20 0.51
▸ HDAC8 Q9BY41 3/20 0.50
▸ HDAC3 O15379 2/20 0.50
▸ HDAC4 P56524 2/20 0.50
▸ HDAC1 Q13547 2/20 0.50
▸ HDAC7 Q8WUI4 2/20 0.50
▸ HDAC2 Q92769 2/20 0.50
▸ HDAC10 Q969S8 2/20 0.50
▸ HDAC11 Q96DB2 2/20 0.50
▸ HDAC6 Q9UBN7 2/20 0.50
▸ HDAC9 Q9UKV0 2/20 0.50
▸ HDAC5 Q9UQL6 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ LCK P06239 1/20 0.48
▸ FABP4 P15090 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
SCHEMBL7972585 1.00 PTGS1 (0.56) PTGS1PTGS2SMN1; SMN2PTGIRHDAC8
SCHEMBL29644739 0.88 LCK (0.57) MEN1KMT2ALCK
SCHEMBL9130049 0.83 HDAC8 (0.69) PTGS1PTGS2SMN1; SMN2HDAC8HDAC3
SCHEMBL133529 0.83 HDAC8 (0.69) PTGS1PTGS2SMN1; SMN2HDAC8HDAC3
SCHEMBL9899475 0.83 HDAC8 (0.69) PTGS1PTGS2SMN1; SMN2HDAC8HDAC3
SCHEMBL9350109 0.83 HDAC8 (0.69) PTGS1PTGS2SMN1; SMN2HDAC8HDAC3
SCHEMBL3468449 0.83 HDAC8 (0.69) PTGS1PTGS2SMN1; SMN2HDAC8HDAC3
SCHEMBL607631 0.83 HDAC8 (0.69) PTGS1PTGS2SMN1; SMN2HDAC8HDAC3
SCHEMBL3468927 0.83 HDAC8 (0.69) PTGS1PTGS2SMN1; SMN2HDAC8HDAC3
SCHEMBL4202491 0.83 HDAC8 (0.69) PTGS1PTGS2SMN1; SMN2HDAC8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626969-B1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORP (US) 2000-05-24 — — EP claimed
US-5648373-A CoA-IT and PAF inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1997-07-15 — — US claimed
EP-0626969-B1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORP (US) 2000-05-24 — — EP disclosed
US-5663053-A COENZYME A TRANSACYLASE FOR SCREENING SMITHKLINE BEECHAM CORPORATION (US) 1997-09-02 — — US disclosed
US-5648373-A CoA-IT and PAF inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1997-07-15 — — US disclosed
EP-0626969-A4 CoA-IT AND PAF INHIBITORS. SMITHKLINE BEECHAM CORP (US) 1995-04-19 — — EP disclosed
EP-0626969-A1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-12-07 — — EP disclosed
WO-1993016674-A1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-09-02 — — WO disclosed
Send feedback