Naphthalene

Naphthalene

SCHEMBL8056397

CC(=O)OCC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccccc1)C(C)C.c1ccc2ccccc2c1

nearest known ligand 0.49

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Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 14/20 0.49
CASP1 P29466 9/20 0.49
CASP7 P55210 4/20 0.49
CASP9 P55211 2/20 0.49
CASP8 Q14790 9/20 0.47
CASP6 P55212 4/20 0.47
BACE1 P56817 2/20 0.43
BACE2 Q9Y5Z0 1/20 0.43

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) CASP3CASP1CASP7CASP9CASP8
SCHEMBL7464267 0.88 CASP3 (0.49) CASP3CASP1CASP7CASP9CASP8
Naphthalene SCHEMBL8414904 0.88 CASP1 (0.64) CASP3CASP1CASP7CASP9
Naphthalene SCHEMBL8412276 0.86 CASP1 (0.58) CASP1
SCHEMBL7421219 0.86 CASP1 (0.57) CASP3CASP1CASP7CASP9CASP8
Naphthalene SCHEMBL8414586 0.84 CASP1 (0.52) CASP3CASP1CASP8CASP6
SCHEMBL7166887 0.81 CASP3 (0.54) CASP3CASP1CASP7CASP9CASP8
Naphthalene SCHEMBL8414659 0.81 CASP3 (0.58) CASP3CASP1CASP7CASP8CASP6
Naphthalene SCHEMBL7415242 0.80 PTPN1 (0.47) CASP3CASP1CASP8CASP6BACE1
SCHEMBL7382572 0.79 CASP1 (0.54) CASP3CASP1CASP7CASP9CASP8

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-0998300-A1 METHODS AND COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 EP disclosed
WO-1998041232-A2 COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed