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Naphthalene

Naphthalene

SCHEMBL8414904

CC(=O)OCC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)OCc1ccccc1)C(C)C.c1ccc2ccccc2c1

nearest known ligand 0.64

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 13/20 0.64
▸ CASP3 P42574 9/20 0.64
▸ CASP7 P55210 5/20 0.64
▸ CASP9 P55211 2/20 0.64
▸ CASP4 P49662 1/20 0.51

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 SCHEMBL7414189 0.89 CASP3 (0.51) CASP1CASP3CASP7CASP9
SCHEMBL7420154 0.88 CASP1 (0.64) CASP1CASP3CASP7CASP9CASP4
Naphthalene SCHEMBL8056397 0.88 CASP3 (0.49) CASP1CASP3CASP7CASP9
Naphthalene SCHEMBL7418235 0.88 CASP1 (0.55) CASP1CASP3
SCHEMBL17326941 0.87 CASP3 (0.72) CASP1CASP3CASP7CASP9CASP4
Naphthalene SCHEMBL8520530 0.87 CASP1 (0.49) CASP1CASP3CASP7CASP9CASP4
SCHEMBL30002726 0.87 CASP3 (0.69) CASP1CASP3CASP7CASP9CASP4
SCHEMBL29362585 0.86 CASP3 (0.76) CASP1CASP3CASP7CASP9CASP4
SCHEMBL7409824 0.86 CASP1 (0.74) CASP1CASP3CASP7CASP9
Naphthalene SCHEMBL7413788 0.85 CASP1 (0.71) CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0932598-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1999-08-04 — — EP claimed
WO-1998016502-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1998-04-23 — — WO claimed
EP-0932598-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1999-08-04 — — EP disclosed
WO-1998016502-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1998-04-23 — — WO disclosed