SCHEMBL8809116

SCHEMBL8809116

COC(=O)c1cccc(/C=C(\C#N)C(O)C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HB P07237 5/20 0.44
▸ GRIN2D O15399 1/20 0.44
▸ GRIN3B O60391 1/20 0.44
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2A Q12879 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ GRIN2C Q14957 1/20 0.44
▸ GRIN3A Q8TCU5 1/20 0.44
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MITF O75030 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MDM2 Q00987 1/20 0.40

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
SCHEMBL8809121 1.00 P4HB (0.44) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8112746 0.81 P4HB (0.50) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2862023 0.80 P4HB (0.49) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2862028 0.80 P4HB (0.49) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2862027 0.80 P4HB (0.49) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8813111 0.79 MAPT (0.49) P4HBTDP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8813118 0.79 MAPT (0.49) P4HBTDP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL32688029 0.74 TDP1 (0.52) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL498199 0.73 P4HB (0.56) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2853921 0.72 P4HB (0.57) P4HBGRIN2DGRIN3BGRIN1GRIN2A

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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