SCHEMBL7807458

SCHEMBL7807458

O=CC1(c2cc(F)cc(OCc3ccccc3)c2)CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 20/20 0.47
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL7582234 0.84 ALOX5 (0.62) ALOX5
SCHEMBL9137548 0.84 ALOX5 (0.50) ALOX5
SCHEMBL8551875 0.83 ALOX5 (0.59) ALOX5PTGS1PTGS2
SCHEMBL12707332 0.82 ALOX5 (0.52) ALOX5PTGS1PTGS2
SCHEMBL7802551 0.81 ALOX5 (0.56) ALOX5
SCHEMBL9029002 0.80 ALOX5 (0.70) ALOX5PTGS1PTGS2
SCHEMBL7814703 0.80 ALOX5 (0.47) ALOX5PTGS1PTGS2
SCHEMBL7811953 0.80 ALOX5 (0.66) ALOX5
SCHEMBL8547366 0.79 ALOX5 (0.52) ALOX5PTGS1PTGS2
SCHEMBL8781473 0.78 ALOX5 (0.46) ALOX5PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787127-B1 5-LIPOXYGENASE INHIBITORS PFIZER (US) 2001-01-03 EP claimed
EP-0787127-B1 5-LIPOXYGENASE INHIBITORS PFIZER (US) 2001-01-03 EP disclosed
US-6063928-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, CARDIOTONIC AGENTS PFIZER INC (US) 2000-05-16 US disclosed
EP-0787127-A1 5-LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1997-08-06 EP disclosed
WO-1996011911-A1 5-LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1996-04-25 WO disclosed