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Naphthalene

Naphthalene

SCHEMBL7413352

CC(=O)OCC(=O)C(CC(=O)O)NC(=O)C1CCCC1C(N)=O.c1ccc2ccccc2c1

nearest known ligand 0.48

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.48
▸ CASP1 P29466 16/20 0.41
▸ F2 P00734 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 SCHEMBL8412953 0.98 CASP3 (0.48) CASP3CASP1
Naphthalene SCHEMBL7416123 0.89 CASP3 (0.49) CASP3CASP1
Naphthalene SCHEMBL8414632 0.88 CASP3 (0.48) CASP3CASP1
SCHEMBL7413349 0.82 CASP1 (0.62) CASP3CASP1
Naphthalene SCHEMBL8414697 0.82 CASP1 (0.40) CASP3CASP1
Naphthalene SCHEMBL8412145 0.80 OPRM1 (0.42) F2
SCHEMBL7419115 0.80 CASP1 (0.62) CASP3CASP1
Naphthalene SCHEMBL7419594 0.79 CASP1 (0.50) CASP3CASP1
Naphthalene SCHEMBL7419969 0.78 CPA1 (0.44) CASP1
Naphthalene SCHEMBL8411674 0.78 TAAR1 (0.40) CASP3F2

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