SCHEMBL7235309

SCHEMBL7235309

CCOC(=O)C1CN(C(=O)Cc2cccs2)CCC1C

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
BRD4 O60885 2/20 0.46
GFER P55789 1/20 0.45
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL7232184 0.81 KMT2A (0.76) HSD17B10MEN1KMT2AALDH1A1KDM4E
SCHEMBL7242700 0.77 HSD17B10 (0.69) HSD17B10MEN1KMT2AALDH1A1KDM4E
SCHEMBL7234671 0.75 KMT2A (0.60) HSD17B10MEN1KMT2AALDH1A1KDM4E
SCHEMBL7233792 0.75 HSD17B10 (0.65) HSD17B10MEN1KMT2AALDH1A1KDM4E
SCHEMBL15322838 0.73 MAPT (0.45) HSD17B10MEN1KMT2AALDH1A1KDM4E
SCHEMBL7241560 0.73 ALDH1A1 (0.56) HSD17B10MEN1KMT2AALDH1A1KDM4E
SCHEMBL7233937 0.71 ALDH1A1 (0.70) HSD17B10MEN1KMT2AALDH1A1KDM4E
SCHEMBL19961339 0.71 ALDH1A1 (0.67) HSD17B10MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7234226 0.70 MEN1 (0.57) HSD17B10MEN1KMT2AALDH1A1KDM4E
SCHEMBL28630788 0.69 ALDH1A1 (0.55) HSD17B10MEN1KMT2AALDH1A1KDM4E

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
US-6664271-B1 Amide, carbamate and uredo derivatives of 3-piperidine-carboxylic acid or ester; protecting against infection by such as escherichia coli and/or actinobacillus pleuropneumoniae ELI LILLY AND COMPANY 2003-12-16 US claimed
US-6664271-B1 Amide, carbamate and uredo derivatives of 3-piperidine-carboxylic acid or ester; protecting against infection by such as escherichia coli and/or actinobacillus pleuropneumoniae ELI LILLY AND COMPANY 2003-12-16 US disclosed