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Naphthalene

Naphthalene

SCHEMBL8414632

COC(=O)C1CCCCC1C(=O)NC(CC(=O)O)C(=O)COC(C)=O.c1ccc2ccccc2c1

nearest known ligand 0.48

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.48
▸ CASP1 P29466 14/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ CASP6 P55212 1/20 0.39
▸ CASP8 Q14790 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
Naphthalene SCHEMBL7416123 0.92 CASP3 (0.49) CASP3CASP1CASP6CASP8
Naphthalene SCHEMBL8412953 0.90 CASP3 (0.48) CASP3CASP1CASP6CASP8
Naphthalene SCHEMBL7413352 0.88 CASP3 (0.48) CASP3CASP1
SCHEMBL7420312 0.83 CASP1 (0.61) CASP3CASP1CASP6CASP8
Naphthalene SCHEMBL8411674 0.80 TAAR1 (0.40) CASP3
Naphthalene SCHEMBL7415860 0.80 CASP1 (0.54) CASP1
Naphthalene SCHEMBL7419594 0.79 CASP1 (0.50) CASP3CASP1
Naphthalene SCHEMBL7419969 0.78 CPA1 (0.44) CASP1
Naphthalene SCHEMBL8412145 0.76 OPRM1 (0.42) —
Naphthalene SCHEMBL8414697 0.76 CASP1 (0.40) CASP3CASP1

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 2 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 disclosed
WO-1998016502-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1998-04-23 — — WO disclosed