SCHEMBL7963957

SCHEMBL7963957

CC1=C(C)[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC1=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TK2 O00142 7/20 0.39
TK1 P04183 7/20 0.38
KIF11 P52732 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TYMP P19971 4/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL7961627 0.78 KDM4E (0.43) TK2TK1KIF11MEN1KMT2A
SCHEMBL260261 0.73 HSP90AA1 (0.43) TK2TK1KIF11MEN1KMT2A
SCHEMBL5773507 0.70 MEN1 (0.40) TK2TK1KIF11MEN1KMT2A
SCHEMBL7152191 0.70 MEN1 (0.38) TK2TK1KIF11MEN1KMT2A
SCHEMBL7152512 0.70 MEN1 (0.38) TK2TK1KIF11MEN1KMT2A
SCHEMBL7962135 0.68 MEN1 (0.46) TK2TK1KIF11MEN1KMT2A
SCHEMBL7962132 0.68 MEN1 (0.46) TK2TK1KIF11MEN1KMT2A
SCHEMBL7156228 0.67 CYP3A4 (0.37) TK2TK1KIF11MEN1KMT2A
SCHEMBL14168437 0.67 GRM2 (0.45) TK2TK1
SCHEMBL5633963 0.67 MEN1 (0.40) TK2TK1KIF11MEN1KMT2A

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-6255339-B1 PREVENTION PROSGESTERONE RECEPTOR BINDING MEIJI SEIKA KAISHA, LTD. (JP) 2001-07-03 US disclosed
EP-0885893-A1 NOVEL TETRAHYDRONAPHTHOFURANONE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 1998-12-23 EP disclosed