SCHEMBL8114676

SCHEMBL8114676

CC(Br)CCCCCn1c(-c2ccccc2)c(-c2ccccc2)n(-c2ccccc2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 6/20 0.37
▸ GSK3A P49840 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PGR P06401 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPK8 P45983 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ PABPC1 P11940 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ CASP9 P55211 1/20 0.32
▸ CASP6 P55212 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL8843851 0.85 FAAH (0.45) FAAHGSK3AGSK3BMEN1KMT2A
Phosphonic Acid SCHEMBL8117820 0.84 FAAH (0.37) FAAHGSK3AGSK3BMEN1KMT2A
Hypophosphorous Acid SCHEMBL9288986 0.84 FAAH (0.37) FAAHGSK3AGSK3BMEN1KMT2A
SCHEMBL9288977 0.84 FAAH (0.37) FAAHGSK3AGSK3BMEN1KMT2A
SCHEMBL5720397 0.84 GSK3A (0.39) FAAHGSK3AGSK3BKMT2APGR
Phosphonic Acid SCHEMBL8111993 0.82 FAAH (0.36) FAAHGSK3AGSK3BMEN1KMT2A
SCHEMBL8113694 0.82 MAPT (0.45) GSK3AGSK3BMEN1KMT2ANPSR1
Phosphonic Acid SCHEMBL8118369 0.80 FAAH (0.44) FAAHGSK3AGSK3BMEN1KMT2A
Phosphoric Acid SCHEMBL8029423 0.80 FAAH (0.44) FAAHGSK3AGSK3BMEN1KMT2A
Phosphonic Acid SCHEMBL7637565 0.80 FAAH (0.44) FAAHGSK3AGSK3BMEN1KMT2A

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-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
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