SCHEMBL8808977

SCHEMBL8808977

CCOC(=O)c1cc2ccc3c(c2cc1O)OC(N)=C(C#N)C3c1ccc2c(c1)OCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.53
▸ ALDH1A1 P00352 8/20 0.53
▸ KDM4E B2RXH2 6/20 0.53
▸ HPGD P15428 4/20 0.53
▸ POLB P06746 3/20 0.53
▸ CASP1 P29466 3/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ GAA P10253 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ HSD17B10 Q99714 4/20 0.51
▸ TSHR P16473 2/20 0.51
▸ CSNK2B P67870 1/20 0.48
▸ CSNK2A1 P68400 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ F2 P00734 1/20 0.46
▸ RCE1 Q9Y256 1/20 0.46
▸ MYB P10242 4/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ ALOX15 P16050 3/20 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
SCHEMBL8809115 0.88 ALDH1A1 (0.42) MAPTALDH1A1KDM4EHPGDPOLB
SCHEMBL8808745 0.86 MYB (0.49) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL8810573 0.85 MYB (0.61) MAPTKDM4EHPGDPOLBMEN1
SCHEMBL8808823 0.84 MYB (0.50) MAPTALDH1A1KDM4EPOLBMEN1
SCHEMBL8810798 0.82 MPO (0.51) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL8810206 0.82 MYB (0.62) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL8809799 0.82 MEN1 (0.58) MAPTALDH1A1KDM4EHPGDPOLB
SCHEMBL8544205 0.76 CYP1A2 (0.73) MAPTALDH1A1HPGDPOLBMEN1
SCHEMBL8811063 0.74 MYB (0.38) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL8810581 0.74 MYB (0.48) MAPTKDM4EHPGDPOLBMEN1

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-0618206-B1 Pharmaceutical compounds LILLY INDUSTRIES LTD (GB) 1997-09-17 — — EP disclosed
US-5576325-A TREATMENT OF IMMUNE DISEASES, RESTENOSIS, ENZYME INHIBITORS AND ANTISPASMODIC AGENTS LILLY INDUSTRIES LIMITED (GB) 1996-11-19 — — US disclosed
US-5574034-A TREATMENT OF IMMUNE DISEASES AND EXCESS CELL PROLIFERATION, ENZYME INHIBITORS ELI LILLY AND COMPANY (US) 1996-11-12 — — US disclosed
US-5571818-A FOR TREATING IMMUNE DISEASES OR A DISEASE IN WHICH EXCESS CELL PROLIFERATION OR ENZYME RELEASE OCCUR ELI LILLY AND COMPANY (US) 1996-11-05 — — US disclosed
US-5514699-A Pharmaceutical compounds LILLY INDUSTRIES LIMITED (GB) 1996-05-07 — — US disclosed
EP-0618206-A1 Pharmaceutical compounds LILLY INDUSTRIES LIMITED (GB) 1994-10-05 — — EP disclosed
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