SCHEMBL9877152

SCHEMBL9877152

O=C(NC1CCCCC1)N(O)CC=Cc1ccc(F)c(Oc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
ALOX5AP P20292 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
EPOR P19235 2/20 0.42
ATM Q13315 1/20 0.41
PKM P14618 3/20 0.40
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
FAAH O00519 1/20 0.38
KDR P35968 1/20 0.37

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
SCHEMBL9877150 1.00 ALOX5 (0.45) ALOX5ALOX5APPTGS1PTGS2EPOR
SCHEMBL9877132 0.83 ALOX5 (0.54) ALOX5ALOX5APPTGS1PTGS2EPOR
SCHEMBL9877137 0.83 ALOX5 (0.54) ALOX5ALOX5APPTGS1PTGS2EPOR
SCHEMBL9877324 0.82 ALOX5 (0.50) ALOX5ALOX5APPTGS1PTGS2EPOR
SCHEMBL9877323 0.82 ALOX5 (0.50) ALOX5ALOX5APPTGS1PTGS2EPOR
SCHEMBL9707330 0.80 ALOX5 (0.69) ALOX5ALOX5APPTGS1PTGS2EPOR
SCHEMBL9877184 0.80 ALOX5 (0.51) ALOX5ALOX5APPTGS1PTGS2EPOR
SCHEMBL9877185 0.80 ALOX5 (0.51) ALOX5ALOX5APPTGS1PTGS2EPOR
SCHEMBL10870426 0.79 EPOR (0.38) ALOX5ALOX5APPTGS1PTGS2EPOR
SCHEMBL10870994 0.72 ALOX5 (0.43) ALOX5ALOX5APPTGS1PTGS2EPOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5036157-A Hydroxamic acid derivatives, lipoxygenase and cyclooxygenase inhibitors, anticoagulants, antiinflammatory agents BURROUGHS WELLCOME CO. 1991-07-30 US disclosed
US-4977188-A Hydroamic acid derivatives BURROUGHS WELLCOME CO. (US) 1990-12-11 US disclosed
WO-1990001929-A1 NEW MEDICAL USE THE WELLCOME FOUNDATION LIMITED (GB) 1990-03-08 WO disclosed
US-4738986-A CYCLOOXYGENASE, LIDOXYGENASE INHIBITORS BURROUGHS WELLCOME CO. (US) 1988-04-19 US disclosed