SCHEMBL9707312

SCHEMBL9707312

CC(=O)N(O)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.62
ALOX5 P09917 2/20 0.62
PTGS2 P35354 1/20 0.62
TAAR1 Q96RJ0 1/20 0.55
ABCC4 O15439 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
LTB4R2 Q9NPC1 1/20 0.48
RIPK1 Q13546 1/20 0.47
FFAR1 O14842 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MMP3 P08254 1/20 0.47
PYCR1 P32322 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL1436622 0.88 ALOX5 (0.70) PTGS1ALOX5PTGS2LMNATSHR
SCHEMBL9707452 0.87 ALOX5 (0.86) PTGS1ALOX5PTGS2HTTFFAR1
Cyclohexane SCHEMBL9835197 0.83 ALOX5 (0.64) PTGS1ALOX5PTGS2LMNATSHR
SCHEMBL9707420 0.81 ALOX5 (0.70) PTGS1ALOX5PTGS2FFAR1
SCHEMBL9876964 0.81 TAAR1 (0.50) PTGS1ALOX5PTGS2TAAR1ABCC4
SCHEMBL9707541 0.81 RIPK1 (0.59) PTGS1ALOX5PTGS2TAAR1ABCC4
SCHEMBL11177458 0.80 TAAR1 (0.53) PTGS1ALOX5PTGS2TAAR1ABCC4
SCHEMBL9707287 0.79 ALOX5 (0.52) PTGS1ALOX5PTGS2
SCHEMBL9877530 0.77 NPC1 (0.48) PTGS1ALOX5TAAR1ABCC4LMNA
SCHEMBL9707326 0.77 ALOX5 (0.57) PTGS1ALOX5PTGS2LMNARIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0196184-B1 ARYL DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1992-09-16 EP disclosed
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