Naphthalene

Naphthalene

SCHEMBL10357718

O=S(=O)(O)Oc1cccc(O)c1.c1ccc2ccccc2c1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 2/20 0.50
▸ CISD1 Q9NZ45 1/20 0.46
▸ HSD17B1 P14061 1/20 0.46
▸ HSD17B2 P37059 1/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ ESR2 Q92731 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ GAA P10253 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL1243178 0.93 STS (0.51) STSCISD1MEN1KMT2AESR1
SCHEMBL29812596 0.93 STS (0.51) STSCISD1MEN1KMT2AESR1
SCHEMBL30526132 0.86 STS (0.46) STSCISD1MEN1KMT2AESR1
SCHEMBL1593352 0.81 CA1 (0.66) CISD1MEN1KMT2AESR1ATM
SCHEMBL29669681 0.81 CA1 (0.66) CISD1MEN1KMT2AESR1ATM
Naphthalene SCHEMBL7767454 0.81 CA1 (0.52) STSMEN1KMT2ACA1CA2
SCHEMBL9664445 0.80 CA1 (0.60) STSCISD1MEN1KMT2ACA1
Propionic Acid SCHEMBL28865642 0.80 CYP3A4 (0.47) STSCISD1ESR1ESR2CYP3A4
Phenol SCHEMBL10636657 0.79 CA1 (0.50) STSCISD1MEN1KMT2AESR1
SCHEMBL7336916 0.79 ALDH1A1 (0.55) STSMEN1KMT2AESR1ATM

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4260599-A ENZYME INHIBITOR, COLLAGEN, LIVER DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-04-07 — — US claimed
JP-58124748-A — — None — — JP disclosed
JP-54039001-A — — None — — JP disclosed
EP-0199591-B1 VALIOLAMINE DERIVATIVES AND PRODUCTION THEREOF Takeda Chemical Industries, Ltd. (JP) 1990-11-07 — — EP disclosed
US-4946779-A HYPERGLYCEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-08-07 — — US disclosed
US-4923975-A Valiolamine derivatives and production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-05-08 — — US disclosed
US-4827036-A GLUCOSIDASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-05-02 — — US disclosed
EP-0199591-A2 Valiolamine derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1986-10-29 — — EP disclosed
EP-0063456-B1 PSEUDO-AMINOSUGARS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1984-08-01 — — EP disclosed
JP-S58124748-A NOVEL AMINOCYCLITOL, ITS PREPARATION AND ALPHA-GLUCOSIDASE INHIBITOR TAKEDA CHEM IND LTD 1983-07-25 — — JP disclosed
EP-0063456-A1 Pseudo-aminosugars, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-10-27 — — EP disclosed
US-4260599-A ENZYME INHIBITOR, COLLAGEN, LIVER DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-04-07 — — US disclosed
JP-S5439001-A NEW PHYSIOLOGICALLY ACTIVE SUBSTANCE TAKEDA CHEM IND LTD 1979-03-24 — — JP disclosed
US-4089947-A FOR CONTROLLING FUNGAL PLANT DISEASES TAKEDA CHEMICAL INDUSTRIES LTD. (JA) 1978-05-16 — — US disclosed
US-4011391-A VALIDAMYCIN C, D, E AND F ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-03-08 — — US disclosed
JP-S05439001-A — — 0001-01-01 — — JP disclosed
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