Sugi Predict

Sugi Predict / Compounds / SCHEMBL8640569

SCHEMBL8640569

SCHEMBL8640569

CCN1CCCC1Oc1ccc(Cc2ccoc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 4/20 0.48
▸ HRH3 Q9Y5N1 9/20 0.37
▸ KCNH2 Q12809 2/20 0.34
▸ SIGMAR1 Q99720 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HRH1 P35367 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
SCHEMBL8639270 0.82 LTA4H (0.44) LTA4HHRH3SIGMAR1
SCHEMBL8644129 0.82 LMNA (0.41) LTA4HHRH3
SCHEMBL8637445 0.80 HRH1 (0.46) LTA4HHRH3SIGMAR1HRH1
SCHEMBL8637383 0.80 LTA4H (0.49) LTA4HHRH3
SCHEMBL8641269 0.78 LTA4H (0.48) LTA4HHRH3KCNH2SIGMAR1
SCHEMBL8642301 0.78 FAAH (0.44) NPC1RAB9A
SCHEMBL8638267 0.77 HRH3 (0.44) LTA4HHRH3
SCHEMBL8637775 0.76 MAOA (0.44) LTA4HHRH3SIGMAR1HRH1
SCHEMBL8638269 0.76 LTA4H (0.50) LTA4HSIGMAR1HRH1
SCHEMBL8641109 0.76 LTA4H (0.52) LTA4HHRH3SIGMAR1HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 — — US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 — — US disclosed