Naphthalene

Naphthalene

SCHEMBL7422959

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

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 15/20 0.49
CASP8 Q14790 12/20 0.46
CASP6 P55212 10/20 0.46
CASP1 P29466 6/20 0.44
CASP7 P55210 1/20 0.42

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 SCHEMBL8414659 0.92 CASP3 (0.58) CASP3CASP8CASP6CASP1CASP7
Naphthalene SCHEMBL8412272 0.87 CASP3 (0.51) CASP3CASP8CASP6CASP1
Naphthalene SCHEMBL7419594 0.87 CASP1 (0.50) CASP3CASP1
SCHEMBL7417111 0.85 CASP1 (0.59) CASP3CASP8CASP6CASP1CASP7
Naphthalene SCHEMBL8410958 0.84 CASP1 (0.44) CASP3CASP8CASP6CASP1
Naphthalene SCHEMBL8414413 0.84 CASP3 (0.50) CASP3CASP8CASP6CASP1
SCHEMBL7422955 0.83 CASP1 (0.64) CASP3CASP8CASP6CASP1
Naphthalene SCHEMBL7414189 0.83 CASP3 (0.51) CASP3CASP8CASP6CASP1CASP7
Naphthalene SCHEMBL8055399 0.81 CASP3 (0.45) CASP3CASP8CASP6CASP1
Naphthalene SCHEMBL7417035 0.80 CASP1 (0.49) 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 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