SCHEMBL7099992

SCHEMBL7099992

COc1ccc2c(OC(C)=O)cccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.52
MTNR1B P49286 3/20 0.52
BACE1 P56817 1/20 0.50
ALDH1A1 P00352 6/20 0.49
HPGD P15428 2/20 0.49
F2 P00734 1/20 0.49
GLA P06280 1/20 0.49
CYP2D6 P10635 1/20 0.48
GAPDH P04406 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
NPC1 O15118 2/20 0.45
HTT P42858 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 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
SCHEMBL9476254 0.90 KDM4E (0.50) MTNR1AMTNR1BALDH1A1GAPDHMAPT
SCHEMBL8513832 0.88 MTNR1A (0.55) MTNR1AMTNR1BBACE1
SCHEMBL8525039 0.86 MTNR1A (0.54) MTNR1AMTNR1BALDH1A1HPGDCYP2D6
SCHEMBL27961287 0.84 CYP2D6 (0.51) MTNR1AMTNR1BCYP2D6L3MBTL1TDP1
SCHEMBL13612582 0.82 ESR1 (0.56) CYP2D6NPC1RAB9ASMN1; SMN2TP53
SCHEMBL13133137 0.82 PDGFRB (0.47) MTNR1AMTNR1BALDH1A1HPGDGLA
SCHEMBL443271 0.81 CYP1A2 (0.57) MTNR1AMTNR1BALDH1A1HPGDCYP2D6
SCHEMBL29869216 0.81 CYP1A2 (0.57) MTNR1AMTNR1BALDH1A1HPGDCYP2D6
SCHEMBL2169155 0.81 BACE1 (0.50) MTNR1AMTNR1BBACE1ALDH1A1HPGD
SCHEMBL26036680 0.81 MAOB (0.50) ALDH1A1HPGDCYP1A2NPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1125044-C Novel prostaglandin synthase inhibitors DU PONT MERCK PHARMA (US) 2003-10-22 CN disclosed
EP-0952227-B1 A bio-resolution process COUNCIL SCIENT IND RES (IN) 2003-09-03 EP disclosed
EP-0952227-A1 A bio-resolution process Council of Scientific and Industrial Research (IN) 1999-10-27 EP disclosed
US-5695774-A Use of nabumetone or 6-methoxynaphthyl acetic acid for the treatment of dementia SMITHKLINE BEECHAM P.L.C. (GB) 1997-12-09 US disclosed
US-5695774-A Use of nabumetone or 6-methoxynaphthyl acetic acid for the treatment of dementia SMITHKLINE BEECHAM P.L.C. (GB) 1997-12-09 US disclosed
CN-1166167-A Novel prostaglandin synthase inhibitors DU PONT MERCK PHARMA (US) 1997-11-26 CN disclosed
EP-0708641-A1 USE OF NABUMETONE OR 6-METHOXYNAPHTHYL ACETIC ACID FOR THE TREATMENT OF DEMENTIA SMITHKLINE BEECHAM PLC (GB) 1996-05-01 EP disclosed
WO-1995002399-A1 USE OF NABUMETONE OR 6-METHOXYNAPHTHYL ACETIC ACID FOR THE TREATMENT OF DEMENTIA SMITHKLINE BEECHAM PLC (GB) 1995-01-26 WO disclosed