SCHEMBL7056992

SCHEMBL7056992

COC(=O)C(c1ccccc1OC)N(C(C)=O)c1ccc(C(=O)c2ccc(C)cc2)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.38
▸ TXNRD1 Q16881 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PLA2G1B P04054 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATG4B Q9Y4P1 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33

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
SCHEMBL5083378 0.72 RAB9A (0.39) RAB9AMAPTL3MBTL1LMNAMEN1
SCHEMBL3484026 0.63 RAB9A (0.66) RAB9AMAPTALDH1A1TP53GAA
SCHEMBL3997292 0.61 ALDH1A1 (0.43) RAB9AMAPTALDH1A1GAAL3MBTL1
SCHEMBL6420225 0.60 ALDH1A1 (0.58) RAB9AALDH1A1GAAHTTNPSR1
SCHEMBL19974868 0.60 PAX8 (0.45) RAB9AMAPTALDH1A1L3MBTL1HTT
SCHEMBL10939224 0.59 TSHR (0.57) RAB9AMAPTALDH1A1GAAL3MBTL1
SCHEMBL7256502 0.59 POLB (0.45) ALDH1A1TP53L3MBTL1HTTNPSR1
SCHEMBL27598322 0.59 ALDH1A1 (0.49) ALDH1A1L3MBTL1HTTNPSR1KMT2A
SCHEMBL29229966 0.59 MAPT (0.57) RAB9AMAPTALDH1A1TP53GAA
SCHEMBL13374189 0.59 L3MBTL1 (0.61) RAB9AMAPTALDH1A1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1429807-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA Pharma AG (DE) 2004-06-23 — — EP disclosed
WO-2003024489-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA PHARMA AG (DE) 2003-03-27 — — WO disclosed
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