SCHEMBL7527770

SCHEMBL7527770

COCCOC(COC)C1CCCO1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
SLC6A3 Q01959 2/20 0.30

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
SCHEMBL5560813 0.84 SLC6A3 (0.32) SLC6A3
SCHEMBL28869969 0.79 SLC6A3 (0.37) SLC6A3
SCHEMBL8949469 0.78 CHRM2 (0.33)
SCHEMBL23163297 0.76 SLC6A3 (0.33) ALDH1A1SLC6A3
SCHEMBL13113054 0.74 HPGD (0.38) ALDH1A1SLC6A3
SCHEMBL14737473 0.73 SLC6A3 (0.32) SLC6A3
SCHEMBL17831594 0.69 SLC6A3 (0.33) ALDH1A1SLC6A3
SCHEMBL503689 0.68 ALDH1A1 (0.34) ALDH1A1SLC6A3
SCHEMBL3898304 0.67 ALOX15 (0.31)
SCHEMBL503715 0.66 ALDH1A1 (0.32) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900180-B1 PROCESS FOR THE PREPARATION OF FLUORO COMPOUNDS FROM THE CORRESPONDING AMINES RHODIA LTD (GB) 2002-03-20 EP claimed
EP-0260121-B1 INOSOSE DERIVATIVES, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 1993-03-10 EP disclosed
US-5004838-A Inosose derivatives, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-04-02 US disclosed
US-4898986-A Inosose derivatives, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-02-06 US disclosed
EP-0260121-A2 Inosose derivatives, production and use thereof Takeda Chemical Industries, Ltd. (JP) 1988-03-16 EP disclosed