SCHEMBL5186166

SCHEMBL5186166

C=CC(=O)OCC12CC3CC(C1)CC(COS(=O)(=O)C(F)(F)F)(C3)C2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
THRB P10828 1/20 0.32
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 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
SCHEMBL4865406 0.92 ALDH1A1 (0.31) ALDH1A1MEN1KMT2A
SCHEMBL4863587 0.86 ALDH1A1 (0.32) ALDH1A1MEN1KMT2A
SCHEMBL822920 0.84 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATHRBGAA
SCHEMBL4855432 0.84 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ATHRBGAA
SCHEMBL4110153 0.84 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ATHRBGAA
SCHEMBL5184535 0.82 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ATHRBGAA
SCHEMBL4116529 0.79 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ATHRBGAA
SCHEMBL4855444 0.78 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATHRBGAA
SCHEMBL28917001 0.78 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ATHRBGAA
SCHEMBL12932449 0.77 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ATHRBGAA

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
EP-1803708-A1 ADAMANTANE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PHOTOSENSITIVE MATERIAL FOR PHOTORESIST IDEMITSU KOSAN CO., LTD. (JP) 2007-07-04 EP disclosed