SCHEMBL7735247

SCHEMBL7735247

CCCC[C@]12C(=O)CC[C@@H]1[C@@H]2C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
HSD17B3 P37058 4/20 0.38
ALDH1A1 P00352 1/20 0.33
CYP19A1 P11511 9/20 0.33
HSD17B1 P14061 1/20 0.32
G6PD P11413 1/20 0.31

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
SCHEMBL7734413 1.00 MEN1 (0.39) MEN1KMT2APOLBHSD17B3ALDH1A1
SCHEMBL7733024 0.95 MEN1 (0.39) MEN1KMT2APOLBHSD17B3ALDH1A1
SCHEMBL7733008 0.95 MEN1 (0.39) MEN1KMT2APOLBHSD17B3ALDH1A1
SCHEMBL7734498 0.94 HSD17B3 (0.40) MEN1KMT2APOLBHSD17B3
SCHEMBL7734459 0.94 HSD17B3 (0.40) MEN1KMT2APOLBHSD17B3
SCHEMBL7733578 0.94 HSD17B3 (0.40) MEN1KMT2APOLBHSD17B3
SCHEMBL7733059 0.94 HSD17B3 (0.40) MEN1KMT2APOLBHSD17B3
SCHEMBL7734183 0.94 HSD17B3 (0.40) MEN1KMT2APOLBHSD17B3
SCHEMBL7734151 0.94 HSD17B3 (0.40) MEN1KMT2APOLBHSD17B3
SCHEMBL7735060 0.90 MEN1 (0.38) MEN1KMT2APOLBHSD17B3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407284-B1 CONTACTING WITH ENZYME; HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-18 US disclosed