SCHEMBL9707478

SCHEMBL9707478

CC(=O)N(O)Cc1ccc(CC(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.59
PTGS1 P23219 4/20 0.50
PTGS2 P35354 4/20 0.50
LMNA P02545 2/20 0.49
CYP2C9 P11712 2/20 0.49
AKR1C3 P42330 2/20 0.49
CXCR1 P25024 2/20 0.49
CXCR2 P25025 2/20 0.49
ALB P02768 1/20 0.49
ESR1 P03372 1/20 0.49
RARB P10826 1/20 0.49
ADRB3 P13945 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR2A P28223 1/20 0.49
NR1I3 Q14994 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
CXCL8 P10145 1/20 0.49
TSHR P16473 1/20 0.49
AKR1C2 P52895 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL10617811 0.81 ALOX5 (0.55) ALOX5PTGS1PTGS2LMNACYP2C9
SCHEMBL10875435 0.77 ALOX5 (0.66) ALOX5PTGS1PTGS2LMNACYP2C9
SCHEMBL1436622 0.76 ALOX5 (0.70) ALOX5PTGS1PTGS2LMNATSHR
SCHEMBL10620270 0.75 ALOX5 (0.73) ALOX5PTGS1PTGS2LMNACYP2C9
SCHEMBL10693720 0.75 ALOX5 (1.00) ALOX5PTGS1PTGS2LMNACYP2C9
SCHEMBL8251293 0.74 POLB (0.50) ALOX5PTGS1PTGS2LMNACYP2C9
SCHEMBL9707312 0.74 PTGS1 (0.62) ALOX5PTGS1PTGS2LMNATSHR
SCHEMBL21955633 0.73 PTGS1 (0.45) ALOX5PTGS1PTGS2LMNACYP2C9
SCHEMBL241137 0.72 POLB (0.58) ALOX5PTGS1PTGS2LMNACYP2C9
SCHEMBL585471 0.72 LMNA (0.64) ALOX5PTGS1PTGS2LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0250530-A1 NEW ARYL DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1988-01-07 EP claimed
WO-1987004152-A1 NEW ARYL DERIVATIVES THE WELLCOME FOUNDATION LTD. (GB) 1987-07-16 WO claimed
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-0250530-A1 NEW ARYL DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1988-01-07 EP disclosed
WO-1987004152-A1 NEW ARYL DERIVATIVES THE WELLCOME FOUNDATION LTD. (GB) 1987-07-16 WO disclosed
EP-0196184-A2 Aryl derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1986-10-01 EP disclosed