SCHEMBL1943728

SCHEMBL1943728

COC(=O)C(=O)c1ccc(Oc2ccc(C(=O)C(=O)OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.56
▸ CES2 O00748 2/20 0.56
▸ CES1 P23141 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ TSHR P16473 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ PARP10 Q53GL7 6/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ PARP15 Q460N3 2/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PARP14 Q460N5 1/20 0.50
▸ PARP16 Q8N5Y8 1/20 0.50
▸ PARP11 Q9NR21 1/20 0.50
▸ PARP4 Q9UKK3 1/20 0.50
▸ MMP13 P45452 1/20 0.48
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ PLK1 P53350 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
SCHEMBL12934598 0.92 HPGD (0.53) HPGDCES2CES1MAPTRAB9A
SCHEMBL13531604 0.92 CES2 (0.56) HPGDCES2CES1MAPTRAB9A
SCHEMBL16595406 0.91 CES2 (0.52) HPGDCES2CES1MAPTRAB9A
SCHEMBL22407070 0.91 HPGD (0.53) HPGDCES2CES1MAPTRAB9A
SCHEMBL2122107 0.87 CES2 (0.75) CES2CES1MAPTRAB9ASMN1; SMN2
SCHEMBL9041291 0.83 MAPT (0.65) MAPTRAB9ASMN1; SMN2PARP10KMT2A
SCHEMBL31135476 0.82 ELANE (0.56) CES2CES1MAPTRAB9ASMN1; SMN2
SCHEMBL9041763 0.82 MAPT (0.67) CES2CES1MAPTRAB9ASMN1; SMN2
SCHEMBL20252722 0.81 CA1 (0.67) HPGDCES2CES1MAPTRAB9A
SCHEMBL29245017 0.80 CES2 (0.48) CES2CES1MAPTALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879925-B1 PHENYLGLYOXALIC ESTERS GENERATING BY PHOTOLYSIS LOW MIGRATABLE FRAGMENTS LAMBERTI SPA (IT) 2011-06-15 — — EP disclosed
EP-1879925-B1 PHENYLGLYOXALIC ESTERS GENERATING BY PHOTOLYSIS LOW MIGRATABLE FRAGMENTS LAMBERTI SPA (IT) 2011-06-15 — — EP disclosed
US-7868054-B2 Phenylglyoxalic esters generated by photolysis of low migratable fragments LAMBERTI SPA (IT) 2011-01-11 — — US disclosed
US-7868054-B2 Phenylglyoxalic esters generated by photolysis of low migratable fragments LAMBERTI SPA (IT) 2011-01-11 — — US disclosed
US-20080193677-A1 Phenylglyoxalic Esters Generating by Photolysis Low Migratable Fragments IGM RESINS ITALIA S.R.L. (IT) 2008-08-14 — — US disclosed
US-20080193677-A1 Phenylglyoxalic Esters Generating by Photolysis Low Migratable Fragments IGM RESINS ITALIA S.R.L. (IT) 2008-08-14 — — US disclosed
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