SCHEMBL9657228

SCHEMBL9657228

CONC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.85
PTGS2 P35354 14/20 0.83
AKR1C3 P42330 3/20 0.79
CNR2 P34972 1/20 0.79
MAPT P10636 3/20 0.79
KMT2A Q03164 2/20 0.79
NPSR1 Q6W5P4 2/20 0.79
AKR1C2 P52895 2/20 0.77
KDM4E B2RXH2 1/20 0.77
MEN1 O00255 1/20 0.77
PTGES O14684 1/20 0.77
ABCC3 O15438 1/20 0.77
ABCC4 O15439 1/20 0.77
ABCB11 O95342 1/20 0.77
MT-CO2 P00403 1/20 0.77
LMNA P02545 1/20 0.77
ALB P02768 1/20 0.77
CYP1A2 P05177 1/20 0.77
ABCB1 P08183 1/20 0.77
ALOX5 P09917 1/20 0.77

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
SCHEMBL5809872 0.92 PTGS1 (1.00) PTGS1PTGS2AKR1C3CNR2MAPT
SCHEMBL20259394 0.92 PTGS2 (0.83) PTGS1PTGS2AKR1C3CNR2MAPT
Oxametacin SCHEMBL29378857 0.91 PTGS1 (1.00) PTGS1PTGS2AKR1C3CNR2MAPT
SCHEMBL14405006 0.91 PTGS2 (1.00) PTGS1PTGS2AKR1C3CNR2MAPT
Oxametacin SCHEMBL24552 0.91 PTGS1 (1.00) PTGS1PTGS2AKR1C3CNR2MAPT
SCHEMBL5107049 0.89 PTGS2 (0.82) PTGS1PTGS2AKR1C3CNR2MAPT
SCHEMBL5112013 0.89 PTGS2 (0.84) PTGS1PTGS2
SCHEMBL30426824 0.89 PTGS2 (1.00) PTGS1PTGS2AKR1C3CNR2MAPT
SCHEMBL2238173 0.89 PTGS2 (1.00) PTGS1PTGS2AKR1C3CNR2MAPT
SCHEMBL14086813 0.89 PTGS2 (1.00) PTGS1PTGS2AKR1C3CNR2MAPT

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
EP-0342682-A2 Hydroxamate derivatives of selected nonsteroidal anti-inflammatory acyl residues having cyclooxygenase and 5-lipoxygenase inhibition WARNER-LAMBERT COMPANY (US) 1989-11-23 EP claimed
US-5112868-A Oxyamide derivatives WARNER-LAMBERT COMPANY (US) 1992-05-12 US disclosed
US-4943587-A INDOLE COMPOUNDS, TREATMENT OF ARTHRITIS, PAIN OR FEVER WARNER-LAMBERT COMPANY (US) 1990-07-24 US disclosed
EP-0342682-A2 Hydroxamate derivatives of selected nonsteroidal anti-inflammatory acyl residues having cyclooxygenase and 5-lipoxygenase inhibition WARNER-LAMBERT COMPANY (US) 1989-11-23 EP disclosed