SCHEMBL8092429

SCHEMBL8092429

O=Cc1ccc(S(=O)(=O)CCO)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.60
LOX P28300 1/20 0.44
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 2/20 0.39
STS P08842 1/20 0.37
CYP2A6 P11509 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KCNH2 Q12809 1/20 0.36

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
SCHEMBL19219011 0.87 ALDH1A1 (0.45) CA2ALDH5A1ABATALDH1A1CYP3A4
SCHEMBL9325260 0.85 CA2 (0.78) CA2LOXPOLBALDH1A1CYP3A4
SCHEMBL3107979 0.82 CA2 (0.58) CA2LOXPOLBALDH1A1CYP3A4
SCHEMBL2054720 0.80 ALDH1A1 (0.44) CA2ALDH5A1ABATALDH1A1CYP3A4
SCHEMBL8666666 0.80 HSD17B10 (0.41) CA2ALDH5A1ABATALDH1A1CYP3A4
SCHEMBL10792219 0.79 CA2 (0.69) CA2LOXPOLBALDH1A1CYP3A4
SCHEMBL2264989 0.77 PSIP1 (0.54) ALDH5A1ABATALDH1A1CYP3A4CYP2C9
SCHEMBL12336517 0.77 CA2 (0.67) CA2LOXPOLBALDH1A1CYP3A4
SCHEMBL2593583 0.77 CA2 (0.67) CA2LOXPOLBALDH1A1CYP3A4
SCHEMBL9473149 0.77 CA2 (0.67) CA2LOXPOLBALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6046306-A SOLID PHASE SYNTHESIS OF PEPTIDE NUCLEIC ACIDS ALLOWING OLIGOMER TO BE CLEAVED OFF FROM THE SOLID SUPPORT UNDER THE ALKALINE CONDITIONS CONVENTIONALLY USED FOR OLIGONUCLEOTIDES HOECHST AKTIENGESELLSCHAFT (DE) 2000-04-04 US disclosed
EP-0338310-B1 REACTIVE DYES BAYER AG (DE) 1992-12-09 EP disclosed
US-4922014-A Process for the preparation of oxethylmercaptobenzaldehydes and their oxidation products HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-01 US disclosed
EP-0338310-A1 Reactive dyes BAYER AG (DE) 1989-10-25 EP disclosed
US-4757135-A Copper-containing fiber reactive dye HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-12 US disclosed
EP-0183054-B1 COPPER FORMAZANE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1988-04-13 EP disclosed
EP-0183054-A1 Copper formazane compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1986-06-04 EP disclosed
US-4396553-A Tetrahydronaphthalene and indane compounds useful as anti-tumor agents HOFFMANN-LA ROCHE INC. (US) 1983-08-02 US disclosed
US-3956395-A Distyrylbenzene disulfone derivatives MEYER HANS RUDOLF 1976-05-11 US disclosed