SCHEMBL10639622

SCHEMBL10639622

CC(=O)SCC1(O)CCN(C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HTR2A P28223 1/20 0.42
▸ MAOB P27338 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ HRH2 P25021 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL10639407 0.83 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL10639607 0.80 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL10639160 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL27640500 0.79 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL9519331 0.78 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL8587397 0.78 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL10639402 0.76 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL27949581 0.76 LMNA (0.53) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL12912355 0.76 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL6401181 0.76 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A

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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