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Naphthalene

Naphthalene

SCHEMBL7416964

CC(=O)OCC(=O)C(CC(=O)O)NC(=O)CCC(N)=O.c1ccc2ccccc2c1

nearest known ligand 0.48

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 19/20 0.48
▸ CASP3 P42574 1/20 0.41

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
Naphthalene SCHEMBL8413561 0.94 CASP1 (0.47) CASP1CASP3
Naphthalene SCHEMBL7423390 0.88 CASP1 (0.49) CASP1CASP3
Naphthalene SCHEMBL8057056 0.86 CASP3 (0.45) CASP1CASP3
Naphthalene SCHEMBL8412276 0.86 CASP1 (0.58) CASP1
Naphthalene SCHEMBL7417035 0.84 CASP1 (0.49) CASP1CASP3
Naphthalene SCHEMBL7419594 0.84 CASP1 (0.50) CASP1CASP3
Naphthalene SCHEMBL8055399 0.83 CASP3 (0.45) CASP1CASP3
Naphthalene SCHEMBL8410988 0.82 CASP1 (0.47) CASP1CASP3
Naphthalene SCHEMBL7415860 0.82 CASP1 (0.54) CASP1
Naphthalene SCHEMBL8414413 0.81 CASP3 (0.50) CASP1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001019373-A2 METHODS AND COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 — — WO disclosed