SCHEMBL8875452

SCHEMBL8875452

O=C(O)c1ccc(C[S])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.60
▸ TSHR P16473 3/20 0.60
▸ TP53 P04637 1/20 0.60
▸ SRD5A2 P31213 3/20 0.52
▸ KMT2A Q03164 2/20 0.50
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA3 P07451 1/20 0.50
▸ TYR P14679 1/20 0.50
▸ DRD1 P21728 1/20 0.50
▸ CA4 P22748 1/20 0.50
▸ CA6 P23280 1/20 0.50
▸ CA5A P35218 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ CA5B Q9Y2D0 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48

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
Terephthalic Acid SCHEMBL166042 0.81 TSHR (0.92) ALDH1A1TSHRTP53SRD5A2CA1
SCHEMBL129853 0.80 ALDH1A1 (0.60) ALDH1A1TSHRTP53SRD5A2KMT2A
Terephthalic Acid SCHEMBL4612225 0.79 TSHR (0.67) ALDH1A1TSHRTP53SRD5A2KMT2A
SCHEMBL68390 0.79 SRD5A2 (0.69) ALDH1A1TSHRTP53SRD5A2KMT2A
SCHEMBL70166 0.79 TSHR (0.67) ALDH1A1TSHRTP53SRD5A2KMT2A
Terephthalic Acid SCHEMBL5053781 0.78 TSHR (1.00) ALDH1A1TSHRTP53SRD5A2CA1
Terephthalic Acid SCHEMBL2511919 0.78 TSHR (1.00) ALDH1A1TSHRTP53SRD5A2CA1
Terephthalic Acid SCHEMBL175823 0.78 TSHR (1.00) ALDH1A1TSHRTP53SRD5A2CA1
Terephthalic Acid SCHEMBL1655 0.78 TSHR (1.00) ALDH1A1TSHRTP53SRD5A2CA1
Hydrochloric Acid SCHEMBL25188150 0.77 SRD5A2 (0.67) ALDH1A1TSHRTP53SRD5A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658942-A Octahydronaphthalene oxime compounds for cholesterol synthesis inhibition SANKYO COMPANY, LIMITED (JP) 1997-08-19 — — US disclosed
US-5604256-A (7-(5-(1,3-DIOXANE-5YL)METHOXYIMINO-2-METHYL-8-(2-METHYLBUTYR -OXY)3-OXO-1,2,3,5,6,7,8,8A-OCTAHYDRO-1-NAPHTHYL)-3-HYDROXY-5 -OXOHEPTANOIC ACID AND SALTS SANKYO COMPANY, LIMITED (JP) 1997-02-18 — — US disclosed
EP-0570245-B1 Octahydronaphthalene oxime derivatives for cholesterol biosynthesis inhibition, their preparation and use SANKYO CO (JP) 1996-10-30 — — EP disclosed
US-5403860-A Octahydronaphthalene oxime compounds for cholesterol synthesis inhibition SANKYO COMPANY, LIMITED (JP) 1995-04-04 — — US disclosed
EP-0570245-A2 Octahydronaphthalene oxime derivatives for cholesterol biosynthesis inhibition, their preparation and use SANKYO COMPANY LIMITED (JP) 1993-11-18 — — EP disclosed
EP-0314435-B1 OCTAHYDRONAPHTHALENE OXIME DERIVATIVES FOR CHOLESTEROL SYNTHESIS INHIBITION, PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Sankyo Company Limited (JP) 1993-09-29 — — EP disclosed
US-4997848-A Enzyme inhibitors SANKYO COMPANY, LIMITED (JP) 1991-03-05 — — US disclosed
EP-0314435-A2 Octahydronaphthalene oxime derivatives for cholesterol synthesis inhibition, processes for their preparation and compositions containing them Sankyo Company Limited (JP) 1989-05-03 — — EP disclosed
Send feedback