SCHEMBL9845959

SCHEMBL9845959

CC(=O)OC1SC(=C2C(=O)CCCC2=O)SC1N(C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9845983 0.85 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9845949 0.80 ALDH1A1 (0.45) ALDH1A1
SCHEMBL9845987 0.76 MAP1LC3B (0.43) ALDH1A1
SCHEMBL9845969 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL9845971 0.75 TDP1 (0.38) ALDH1A1
SCHEMBL12221039 0.61 ALDH1A1 (0.39) ALDH1A1
SCHEMBL14735589 0.58 ALDH1A1 (0.37) ALDH1A1
SCHEMBL9835656 0.58 ALDH1A1 (0.42) ALDH1A1
SCHEMBL8959105 0.56 POLB (0.40)
SCHEMBL18510216 0.56 POLB (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0414952-A1 Dithiolane derivatives NIHON NOHYAKU CO., LTD. (JP) 1991-03-06 EP claimed
EP-0414952-A1 Dithiolane derivatives NIHON NOHYAKU CO., LTD. (JP) 1991-03-06 EP disclosed