SCHEMBL11314946

SCHEMBL11314946

Cn1c(S)nnc1CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTT P42858 1/20 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
SCHEMBL11588269 0.81 HDAC6 (0.44) ALDH1A1MAPTMAPK1NPSR1
SCHEMBL11423451 0.77 KMT2A (0.34) KDM4EHTT
SCHEMBL11587704 0.75 ALDH1A1 (0.39) ALDH1A1
SCHEMBL16312316 0.73 CYP1A2 (0.35) ALDH1A1MAPTKDM4EMAPK1
SCHEMBL9688697 0.72 PPARG (0.35) MAPK1
SCHEMBL13865681 0.70
SCHEMBL14112926 0.70
SCHEMBL11665488 0.69 L3MBTL1 (0.36) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL10403884 0.68
SCHEMBL28692284 0.65 LMNA (0.40) ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4258184-A ANTIBIOTICS MEIJI SEIKA KAISHA LTD. (JP) 1981-03-24 US disclosed
US-4144391-A REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE ELI LILLY AND COMPANY (US) 1979-03-13 US disclosed
US-4113944-A DECARBOXYLATION MEIJI SEIKA KAISHA, LTD. (JP) 1978-09-12 US disclosed