SCHEMBL11430429

SCHEMBL11430429

COC(=O)CC1CCCC(=NO)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.42
▸ POLB P06746 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ EPHX2 P34913 2/20 0.32
▸ TSHR P16473 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.30
▸ MIF P14174 1/20 0.30

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
SCHEMBL11434009 0.85 TDP1 (0.36) POLBL3MBTL1TDP1ALDH1A1KMT2A
SCHEMBL11495137 0.82 MIF (0.35) L3MBTL1TDP1ALDH1A1KMT2AMIF
SCHEMBL11425166 0.82 MIF (0.35) L3MBTL1TDP1ALDH1A1KMT2AMIF
SCHEMBL11433432 0.80 MIF (0.37) ALDH1A1EPHX2MIF
SCHEMBL31645448 0.79 BRD4 (0.49) BRD4POLBL3MBTL1TDP1ALDH1A1
SCHEMBL337398 0.79 BRD4 (0.49) BRD4POLBL3MBTL1TDP1ALDH1A1
SCHEMBL30045918 0.79 BRD4 (0.49) BRD4POLBL3MBTL1TDP1ALDH1A1
SCHEMBL10413120 0.74 BRD4 (0.47) BRD4POLBL3MBTL1TDP1ALDH1A1
SCHEMBL868953 0.73 BRD4 (0.47) BRD4POLBL3MBTL1TDP1ALDH1A1
SCHEMBL3631878 0.73 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4222944-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIRHEUMATIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-09-16 — — US disclosed
US-4192809-A USED A ANTIINFLAMMATORY, ANALGESIC, AND ANTIRHEUMATIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-03-11 — — US disclosed
US-4097497-A ANTIINFLAMMATORY, ANALGESICS, ANTIRHEUMATIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1978-06-27 — — US disclosed
US-4022805-A ANTIINFLAMMATORY, ANALGESIC, ANTIRHEUMATIC HOFFMANN-LA ROCHE INC. (US) 1977-05-10 — — US disclosed
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