SCHEMBL10639423

SCHEMBL10639423

CC(C)(C)OC(=O)C=C1CCCN(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPT P10636 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ KMT2A Q03164 3/20 0.38
▸ TMEM97 Q5BJF2 2/20 0.38
▸ SIGMAR1 Q99720 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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 0.86 DPP8 (0.43) ALDH1A1MAPTLMNASMN1; SMN2DPP8
SCHEMBL5724167 0.80 ALDH1A1 (0.67) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL10636452 0.78 DPP8 (0.47) ALDH1A1MAPTLMNASMN1; SMN2DPP8
SCHEMBL424706 0.77 ESR2 (0.43) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL424707 0.77 ESR2 (0.43) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL424756 0.77 ESR2 (0.43) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL8587397 0.77 ALDH1A1 (0.56) ALDH1A1MAPTLMNASMN1; SMN2DPP8
SCHEMBL9519331 0.77 ALDH1A1 (0.56) ALDH1A1MAPTLMNASMN1; SMN2DPP8
SCHEMBL10639734 0.77 ALDH1A1 (0.47) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL6046664 0.76 ALDH1A1 (0.52) ALDH1A1MAPTLMNASMN1; SMN2KMT2A

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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