Naphthalene

Naphthalene

SCHEMBL7419969

CC(=O)OCC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(C)=O.c1ccc2ccccc2c1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.44
CPA2 P48052 1/20 0.44
CPA4 Q9UI42 1/20 0.44
KMT2A Q03164 1/20 0.43
CTRB1 P17538 1/20 0.43
TACR1 P25103 10/20 0.42
CMA1 P23946 1/20 0.42
ACE P12821 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
CASP1 P29466 2/20 0.41
VHL P40337 1/20 0.40

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 SCHEMBL8412145 0.93 OPRM1 (0.42) KMT2ACTRB1TACR1CMA1ACE
SCHEMBL7419961 0.84 CASP1 (0.60) KMT2ATACR1CASP1
Naphthalene SCHEMBL7416123 0.80 CASP3 (0.49) CASP1
Naphthalene SCHEMBL7419594 0.79 CASP1 (0.50) CASP1
Naphthalene SCHEMBL8412953 0.78 CASP3 (0.48) CASP1
Naphthalene SCHEMBL8414632 0.78 CASP3 (0.48) CASP1
Naphthalene SCHEMBL7413352 0.78 CASP3 (0.48) CASP1
Naphthalene SCHEMBL8061774 0.78 CASP1 (0.44) CASP1
SCHEMBL30799597 0.77 ITGB1 (0.51) CPA1CPA2CPA4KMT2ATACR1
Naphthalene SCHEMBL7415860 0.77 CASP1 (0.54) 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 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