SCHEMBL9877155

SCHEMBL9877155

CN(O)C(=O)C=Cc1ccc(-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.57
ALOX5 P09917 2/20 0.56
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
NPC1 O15118 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TRPM8 Q7Z2W7 3/20 0.51

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
SCHEMBL8993860 0.89 ALOX5 (0.67) HDAC2ALOX5PTGS1PTGS2NPC1
SCHEMBL10457551 0.89 ALOX5 (0.67) HDAC2ALOX5PTGS1PTGS2NPC1
SCHEMBL9590158 0.88 HDAC2 (0.59) HDAC2NPC1L3MBTL1TRPM8
SCHEMBL10876301 0.85 ALOX5 (0.68) HDAC2ALOX5PTGS1PTGS2NPC1
SCHEMBL9877335 0.80 TRPM8 (0.60) ALOX5PTGS1PTGS2TRPM8
SCHEMBL11280949 0.80 NPC1 (0.81) HDAC2NPC1L3MBTL1TRPM8
SCHEMBL11280951 0.80 NPC1 (0.81) HDAC2NPC1L3MBTL1TRPM8
SCHEMBL10569133 0.79 HSD11B1 (0.60) ALOX5PTGS1PTGS2
SCHEMBL8997381 0.79 ALOX5 (0.50) HDAC2ALOX5NPC1L3MBTL1TRPM8
SCHEMBL8997385 0.79 ALOX5 (0.50) HDAC2ALOX5NPC1L3MBTL1TRPM8

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
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
EP-0196184-A2 Aryl derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1986-10-01 EP disclosed