SCHEMBL9835656

SCHEMBL9835656

CN1CCN(C)C2SC(=C3C(=O)CCCC3=O)SC21

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL9845990 0.74 ALDH1A1 (0.39) ALDH1A1
SCHEMBL9845949 0.69 ALDH1A1 (0.45) ALDH1A1
SCHEMBL9837566 0.69 GAA (0.42) ALDH1A1
SCHEMBL9845969 0.63 ALDH1A1 (0.39) ALDH1A1
SCHEMBL9836014 0.60 ALDH1A1 (0.54) ALDH1A1
SCHEMBL12221042 0.56 ALDH1A1 (0.48) ALDH1A1
SCHEMBL28935210 0.56 ALDH1A1 (0.48) ALDH1A1
SCHEMBL289021 0.55
SCHEMBL11970846 0.53
SCHEMBL11101962 0.52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0261674-B1 A CYCLOHEXANEDIONE DERIVATIVE AND A PROCESS FOR PRODUCING THE SAME NIHON NOHYAKU CO., LTD. (JP) 1991-06-12 EP claimed
US-4863925-A SUBSTITUTED NIHON NOHYAKU CO., LTD. (JP) 1989-09-05 US claimed
EP-0261674-A1 A cyclohexanedione derivative and a process for producing the same NIHON NOHYAKU CO., LTD. (JP) 1988-03-30 EP claimed
JP-63183586-A None JP disclosed
EP-0261674-B1 A CYCLOHEXANEDIONE DERIVATIVE AND A PROCESS FOR PRODUCING THE SAME NIHON NOHYAKU CO., LTD. (JP) 1991-06-12 EP disclosed
JP-S63183586-A CYCLOHEXANEDIONE DERIVATIVE, PRODUCTION AND USE THEREOF NIPPON NOHYAKU CO LTD 1988-07-28 JP disclosed
EP-0261674-A1 A cyclohexanedione derivative and a process for producing the same NIHON NOHYAKU CO., LTD. (JP) 1988-03-30 EP disclosed