SCHEMBL9100221

SCHEMBL9100221

COC1(c2cc(F)cc(F)c2F)CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.41
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL8696283 0.86 ALOX5 (0.41) ALOX5
SCHEMBL9255827 0.84 ALOX5 (0.40) ALOX5PTGS1PTGS2
SCHEMBL9101184 0.80 ALOX5 (0.31) ALOX5
SCHEMBL7481034 0.76 ALOX5 (0.53) ALOX5PTGS1PTGS2
SCHEMBL8630367 0.75 ALOX5 (0.43) ALOX5
SCHEMBL9101868 0.75 P2RX7 (0.37) ALOX5
SCHEMBL8696312 0.72 ALOX5 (0.41) ALOX5
SCHEMBL1598547 0.70 ALOX5 (0.51) ALOX5PTGS1PTGS2
SCHEMBL9027778 0.70 ALOX5 (0.48) ALOX5PTGS1PTGS2
SCHEMBL9100023 0.69 ALOX5 (0.45) ALOX5

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
EP-0702680-A1 2-OXO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES ZENECA LIMITED (GB) 1996-03-27 EP disclosed
WO-1994029297-A1 2-OXO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES ZENECA LIMITED (GB) 1994-12-22 WO disclosed