SCHEMBL9428401

SCHEMBL9428401

COc1ccc(-c2nc(C(C)C(=O)O)oc2-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 9/20 0.50
RXRA P19793 3/20 0.50
KDM4E B2RXH2 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
HTT P42858 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 3/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PPARD Q03181 2/20 0.47
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RXRB P28702 2/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 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
SCHEMBL10797572 0.96 PPARD (0.45) NR4A2RXRAKDM4ETDP1HTT
SCHEMBL1534075 0.89 NR4A2 (0.59) NR4A2RXRAKDM4EHPGDLMNA
SCHEMBL9428091 0.86 NR4A2 (0.53) NR4A2RXRAKDM4EHPGDLMNA
SCHEMBL6000535 0.81 PTGS2 (0.63) NR4A2RXRAKDM4ELMNAALDH1A1
SCHEMBL5823861 0.81 PTGS2 (0.50) NR4A2RXRALMNA
SCHEMBL6002469 0.81 PTGS2 (0.50) NR4A2RXRALMNA
SCHEMBL9427672 0.81 ADAMTS4 (0.50) NR4A2RXRAPPARDMMP13PPARG
SCHEMBL6538884 0.80 AKR1C3 (0.47) NR4A2RXRAKDM4ETDP1HTT
SCHEMBL13352330 0.80 CYP11B1 (0.42) KDM4ETDP1HTTMAPTHPGD
SCHEMBL11752449 0.80 TP53 (0.59) NR4A2RXRAKDM4ETDP1HTT

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-5364944-A Antiinflammatory, antiallergic and cytoprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1994-11-15 US disclosed
US-5218124-A Antiinflammatory agents, antiallergens and cytoprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-06-08 US disclosed
EP-0497888-A1 SUBSTITUTED BENZOYLBENZENE-, BIPHENYL- AND 2-OXAZOLE- ALKANOIC ACID DERIVATIVES AS INHIBITORS OF PLA 2? AND LIPOXYGENASE AMERICAN HOME PRODUCTS CORPORATION (US) 1992-08-12 EP disclosed
US-5071988-A Antiu lcer agents, antiallergens cytoprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1991-12-10 US disclosed
WO-1991006538-A1 SUBSTITUTED BENZOYLBENZENE-, BIPHENYL- AND 2-OXAZOLE- ALKANOIC ACID DERIVATIVES AS INHIBITORS OF PLA2 AND LIPOXYGENASE AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-16 WO disclosed