SCHEMBL9515345

SCHEMBL9515345

CCOC(OCC)C(O)C(C)[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL11045907 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL10571822 0.72 THRB (0.44) LMNA
SCHEMBL20581374 0.72 THRB (0.44) LMNA
SCHEMBL13573097 0.71 LMNA (0.43) LMNA
SCHEMBL13573723 0.71 LMNA (0.43) LMNA
SCHEMBL15198769 0.68 METAP2 (0.36) LMNAALDH1A1
SCHEMBL6341155 0.67
SCHEMBL9681077 0.67 LMNA (0.39) LMNA
SCHEMBL20094888 0.67 ALDH1A1 (0.34) ALDH1A1
SCHEMBL4047581 0.67 ALDH1A1 (0.34) LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1022319-C 1, 2, 3, 4-tetrahydronaphthalene derivatives, process for their preparation and their use as medicaments MERRELL DOW PHARMA (US) 1993-10-06 CN disclosed
EP-0378456-B1 TETRALIN DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-09-15 EP disclosed
US-5106861-A Method of using certain tetralin derivatives to produce analgesic relief MERRELL DOW PHARMACEUTICALS INC. (US) 1992-04-21 US disclosed
US-5041673-A Aminopeptidase inhibitors, immunomodulators, analgesics MERRELL DOW PHARMACEUTICALS INC. (US) 1991-08-20 US disclosed
EP-0381902-A1 Tetralin derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1990-08-16 EP disclosed
CN-1044460-A Novel 1,2,3,4-tetralin derivative MERRELL DOW PHARMA (US) 1990-08-08 CN disclosed
EP-0378456-A1 Tetralin derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1990-07-18 EP disclosed