SCHEMBL10639729

SCHEMBL10639729

O=C(O)C=C1CCN(C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ RECQL P46063 1/20 0.42

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
SCHEMBL10639741 0.87 DPP8 (0.43) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL10636731 0.86 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL10639488 0.85 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL10638970 0.85 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL3039444 0.84 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL7311393 0.83 MEN1 (0.59) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL8587397 0.82 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL9519331 0.82 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL3039451 0.81 KCNJ1 (0.53) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
Hydrochloric Acid SCHEMBL5724126 0.80 KCNJ1 (0.52) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4742052-A Antibacterial β-lactam compounds SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1988-05-03 — — US disclosed
EP-0070204-B1 CARBOXYLIC BETA-LACTAM COMPOUNDS AND THE PREPARATION THEREOF SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-11-19 — — EP disclosed
EP-0070204-A2 Carboxylic beta-lactam compounds and the preparation thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1983-01-19 — — EP disclosed
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